from __future__ import print_function

def test_pandas(h2kc, project, df):
    """

    """
    import qcdb

    try:

        if project == 'dhdft':
            print("""\n        Checks from dhdft project:\n""")
            digits = 4

            # B3LYP
            qcdb.compare_values(-2.8732, h2kc * df['B3LYP-CP-adz']['S22-22'], digits, 'B3LYP-CP-adz')
            qcdb.compare_values(-2.9389, h2kc * df['B3LYP-CP-atz']['S22-22'], digits, 'B3LYP-CP-atz')
            qcdb.compare_values(-3.6276, h2kc * df['B3LYP-unCP-adz']['S22-22'], digits, 'B3LYP-unCP-adz')
            qcdb.compare_values(-3.1766, h2kc * df['B3LYP-unCP-atz']['S22-22'], digits, 'B3LYP-unCP-atz')
            qcdb.compare_values(-7.1256, h2kc * df['B3LYPD3-CP-adz']['S22-22'], digits, 'B3LYPD3-CP-adz')
            qcdb.compare_values(-7.1913, h2kc * df['B3LYPD3-CP-atz']['S22-22'], digits, 'B3LYPD3-CP-atz')
            qcdb.compare_values(-7.8800, h2kc * df['B3LYPD3-unCP-adz']['S22-22'], digits, 'B3LYPD3-unCP-adz')
            qcdb.compare_values(-7.4290, h2kc * df['B3LYPD3-unCP-atz']['S22-22'], digits, 'B3LYPD3-unCP-atz')

            # B2PLYP
            qcdb.compare_values(-4.5423, h2kc * df['B2PLYP-nfc-CP-adz']['S22-22'], digits, 'B2PLYP-nfc-CP-adz')
            qcdb.compare_values(-4.7537, h2kc * df['B2PLYP-nfc-CP-atz']['S22-22'], digits, 'B2PLYP-nfc-CP-atz')
            qcdb.compare_values(-6.1559, h2kc * df['B2PLYP-nfc-unCP-adz']['S22-22'], digits, 'B2PLYP-nfc-unCP-adz')
            qcdb.compare_values(-5.8908, h2kc * df['B2PLYP-nfc-unCP-atz']['S22-22'], digits, 'B2PLYP-nfc-unCP-atz')
            qcdb.compare_values(-6.7902, h2kc * df['B2PLYPD3-nfc-CP-adz']['S22-22'], digits, 'B2PLYPD3-nfc-CP-adz')
            qcdb.compare_values(-7.0016, h2kc * df['B2PLYPD3-nfc-CP-atz']['S22-22'], digits, 'B2PLYPD3-nfc-CP-atz')
            qcdb.compare_values(-8.4038, h2kc * df['B2PLYPD3-nfc-unCP-adz']['S22-22'], digits, 'B2PLYPD3-nfc-unCP-adz')
            qcdb.compare_values(-8.1387, h2kc * df['B2PLYPD3-nfc-unCP-atz']['S22-22'], digits, 'B2PLYPD3-nfc-unCP-atz')

            # B97D
            qcdb.compare_values(-6.2894, h2kc * df['B97D3-CP-adz']['S22-22'], digits, 'B97D3-CP-adz')
            qcdb.compare_values(-6.3362, h2kc * df['B97D3-CP-atz']['S22-22'], digits, 'B97D3-CP-atz')
            qcdb.compare_values(-7.0221, h2kc * df['B97D3-unCP-adz']['S22-22'], digits, 'B97D3-unCP-adz')
            qcdb.compare_values(-6.5884, h2kc * df['B97D3-unCP-atz']['S22-22'], digits, 'B97D3-unCP-atz')

            # M052X & M062X
            qcdb.compare_values(-5.9540, h2kc * df['M052X-CP-adz']['S22-22'], digits, 'M052X-CP-adz')
            qcdb.compare_values(-6.0720, h2kc * df['M052X-CP-atz']['S22-22'], digits, 'M052X-CP-atz')
            qcdb.compare_values(-6.7825, h2kc * df['M052X-unCP-adz']['S22-22'], digits, 'M052X-unCP-adz')
            qcdb.compare_values(-6.3942, h2kc * df['M052X-unCP-atz']['S22-22'], digits, 'M052X-unCP-atz')
            qcdb.compare_values(-6.5146, h2kc * df['M062X-CP-adz']['S22-22'], digits, 'M062X-CP-adz')
            qcdb.compare_values(-6.5581, h2kc * df['M062X-CP-atz']['S22-22'], digits, 'M062X-CP-atz')
            qcdb.compare_values(-7.3393, h2kc * df['M062X-unCP-adz']['S22-22'], digits, 'M062X-unCP-adz')
            qcdb.compare_values(-6.8876, h2kc * df['M062X-unCP-atz']['S22-22'], digits, 'M062X-unCP-atz')

            # VV10 & LCVV10
            qcdb.compare_values(-6.9325, h2kc * df['VV10-CP-adz']['S22-22'], digits, 'VV10-CP-adz')
            qcdb.compare_values(-6.9913, h2kc * df['VV10-CP-atz']['S22-22'], digits, 'VV10-CP-atz')
            qcdb.compare_values(-7.7285, h2kc * df['VV10-unCP-adz']['S22-22'], digits, 'VV10-unCP-adz')
            qcdb.compare_values(-7.2664, h2kc * df['VV10-unCP-atz']['S22-22'], digits, 'VV10-unCP-atz')
            qcdb.compare_values(-6.9236, h2kc * df['LCVV10-CP-adz']['S22-22'], digits, 'LCVV10-CP-adz')
            qcdb.compare_values(-6.9086, h2kc * df['LCVV10-CP-atz']['S22-22'], digits, 'LCVV10-CP-atz')
            qcdb.compare_values(-7.7457, h2kc * df['LCVV10-unCP-adz']['S22-22'], digits, 'LCVV10-unCP-adz')
            qcdb.compare_values(-7.1775, h2kc * df['LCVV10-unCP-atz']['S22-22'], digits, 'LCVV10-unCP-atz')

            # DSD-PBEP86
            qcdb.compare_values(-5.4858, h2kc * df['DSDPBEP86-nfc-CP-adz']['S22-22'], digits, 'DSDPBEP86-nfc-CP-adz')
            qcdb.compare_values(-5.7625, h2kc * df['DSDPBEP86-nfc-CP-atz']['S22-22'], digits, 'DSDPBEP86-nfc-CP-atz')
            qcdb.compare_values(-7.6463, h2kc * df['DSDPBEP86-nfc-unCP-adz']['S22-22'], digits, 'DSDPBEP86-nfc-unCP-adz')
            qcdb.compare_values(-7.5912, h2kc * df['DSDPBEP86-nfc-unCP-atz']['S22-22'], digits, 'DSDPBEP86-nfc-unCP-atz')
            # TODO need -D !!

            # PBE & PBE0 & PBE0-2
            qcdb.compare_values(-3.8210, h2kc * df['PBE-CP-adz']['S22-22'], digits, 'PBE-CP-adz')
            qcdb.compare_values(-3.8560, h2kc * df['PBE-CP-atz']['S22-22'], digits, 'PBE-CP-atz')
            qcdb.compare_values(-4.5668, h2kc * df['PBE-unCP-adz']['S22-22'], digits, 'PBE-unCP-adz')
            qcdb.compare_values(-4.0963, h2kc * df['PBE-unCP-atz']['S22-22'], digits, 'PBE-unCP-atz')
            qcdb.compare_values(-4.1464, h2kc * df['PBE0-CP-adz']['S22-22'], digits, 'PBE0-CP-adz')
            qcdb.compare_values(-4.1539, h2kc * df['PBE0-CP-atz']['S22-22'], digits, 'PBE0-CP-atz')
            qcdb.compare_values(-4.9312, h2kc * df['PBE0-unCP-adz']['S22-22'], digits, 'PBE0-unCP-adz')
            qcdb.compare_values(-4.4044, h2kc * df['PBE0-unCP-atz']['S22-22'], digits, 'PBE0-unCP-atz')
            qcdb.compare_values(-6.9963, h2kc * df['PBE0D3-CP-adz']['S22-22'], digits, 'PBE0D3-CP-adz')
            qcdb.compare_values(-7.0039, h2kc * df['PBE0D3-CP-atz']['S22-22'], digits, 'PBE0D3-CP-atz')
            qcdb.compare_values(-7.7811, h2kc * df['PBE0D3-unCP-adz']['S22-22'], digits, 'PBE0D3-unCP-adz')
            qcdb.compare_values(-7.2544, h2kc * df['PBE0D3-unCP-atz']['S22-22'], digits, 'PBE0D3-unCP-atz')
            qcdb.compare_values(-6.6748, h2kc * df['PBED3-CP-adz']['S22-22'], digits, 'PBED3-CP-adz')
            qcdb.compare_values(-6.7098, h2kc * df['PBED3-CP-atz']['S22-22'], digits, 'PBED3-CP-atz')
            qcdb.compare_values(-7.4206, h2kc * df['PBED3-unCP-adz']['S22-22'], digits, 'PBED3-unCP-adz')
            qcdb.compare_values(-6.9501, h2kc * df['PBED3-unCP-atz']['S22-22'], digits, 'PBED3-unCP-atz')
            qcdb.compare_values(-6.0202, h2kc * df['PBE02-CP-adz']['S22-22'], digits, 'PBE02-CP-adz')
            qcdb.compare_values(-6.2983, h2kc * df['PBE02-CP-atz']['S22-22'], digits, 'PBE02-CP-atz')
            qcdb.compare_values(-8.3761, h2kc * df['PBE02-unCP-adz']['S22-22'], digits, 'PBE02-unCP-adz')
            qcdb.compare_values(-8.1894, h2kc * df['PBE02-unCP-atz']['S22-22'], digits, 'PBE02-unCP-atz')

            # higher M0N
            qcdb.compare_values(-6.5554, h2kc * df['M08HX-CP-adz']['S22-22'], digits, 'M08HX-CP-adz')
            qcdb.compare_values(-6.3784, h2kc * df['M08HX-CP-atz']['S22-22'], digits, 'M08HX-CP-atz')
            qcdb.compare_values(-7.5260, h2kc * df['M08HX-unCP-adz']['S22-22'], digits, 'M08HX-unCP-adz')
            qcdb.compare_values(-6.9478, h2kc * df['M08HX-unCP-atz']['S22-22'], digits, 'M08HX-unCP-atz')
            qcdb.compare_values(-6.6251, h2kc * df['M08SO-CP-adz']['S22-22'], digits, 'M08SO-CP-adz')
            qcdb.compare_values(-6.2753, h2kc * df['M08SO-CP-atz']['S22-22'], digits, 'M08SO-CP-atz')
            qcdb.compare_values(-7.5524, h2kc * df['M08SO-unCP-adz']['S22-22'], digits, 'M08SO-unCP-adz')
            qcdb.compare_values(-6.8447, h2kc * df['M08SO-unCP-atz']['S22-22'], digits, 'M08SO-unCP-atz')
            qcdb.compare_values(-6.4102, h2kc * df['M11-CP-adz']['S22-22'], digits, 'M11-CP-adz')
            qcdb.compare_values(-6.0122, h2kc * df['M11-CP-atz']['S22-22'], digits, 'M11-CP-atz')
            qcdb.compare_values(-7.4823, h2kc * df['M11-unCP-adz']['S22-22'], digits, 'M11-unCP-adz')
            qcdb.compare_values(-6.8535, h2kc * df['M11-unCP-atz']['S22-22'], digits, 'M11-unCP-atz')
            qcdb.compare_values(-4.4887, h2kc * df['M11L-CP-adz']['S22-22'], digits, 'M11L-CP-adz')
            qcdb.compare_values(-4.6106, h2kc * df['M11L-CP-atz']['S22-22'], digits, 'M11L-CP-atz')
            qcdb.compare_values(-5.8837, h2kc * df['M11L-unCP-adz']['S22-22'], digits, 'M11L-unCP-adz')
            qcdb.compare_values(-5.4856, h2kc * df['M11L-unCP-atz']['S22-22'], digits, 'M11L-unCP-atz')

            # WB97X-D & WB97X-2
            qcdb.compare_values(-6.9619, h2kc * df['WB97XD-CP-adz']['S22-22'], digits, 'WB97XD-CP-adz')
            qcdb.compare_values(-6.9079, h2kc * df['WB97XD-CP-atz']['S22-22'], digits, 'WB97XD-CP-atz')
            qcdb.compare_values(-7.7526, h2kc * df['WB97XD-unCP-adz']['S22-22'], digits, 'WB97XD-unCP-adz')
            qcdb.compare_values(-7.2837, h2kc * df['WB97XD-unCP-atz']['S22-22'], digits, 'WB97XD-unCP-atz')
            qcdb.compare_values(-6.6073, h2kc * df['WB97X2-nfc-CP-adz']['S22-22'], digits, 'WB97X2-nfc-CP-adz')
            qcdb.compare_values(-6.9328, h2kc * df['WB97X2-nfc-CP-atz']['S22-22'], digits, 'WB97X2-nfc-CP-atz')
            qcdb.compare_values(-8.7650, h2kc * df['WB97X2-nfc-unCP-adz']['S22-22'], digits, 'WB97X2-nfc-unCP-adz')
            qcdb.compare_values(-8.6417, h2kc * df['WB97X2-nfc-unCP-atz']['S22-22'], digits, 'WB97X2-nfc-unCP-atz')

            # dlDFD
            qcdb.compare_values(-6.3829, h2kc * df['DLDFD-CP-adz']['S22-22'], digits, 'DLDFD-CP-adz')
            qcdb.compare_values(-6.4839, h2kc * df['DLDFD-CP-atz']['S22-22'], digits, 'DLDFD-CP-atz')
            qcdb.compare_values(-7.2422, h2kc * df['DLDFD-unCP-adz']['S22-22'], digits, 'DLDFD-unCP-adz')
            qcdb.compare_values(-6.8258, h2kc * df['DLDFD-unCP-atz']['S22-22'], digits, 'DLDFD-unCP-atz')

            # duplicates of checks from dft project that should match dhdft project
            #   digits shouldn't need to be this big but is: df vs non-df & psi4 vs qchem
            print("""\n        Checks from dft project:\n""")
            digits = 0.04

            # B3LYP
            qcdb.compare_values(-3.6463, h2kc * df['B3LYP-unCP-adz']['S22-22'], digits, 'B3LYP-unCP-adz')
            qcdb.compare_values(-3.1681, h2kc * df['B3LYP-unCP-atz']['S22-22'], digits, 'B3LYP-unCP-atz')
            qcdb.compare_values(-7.8987, h2kc * df['B3LYPD3-unCP-adz']['S22-22'], digits, 'B3LYPD3-unCP-adz')
            qcdb.compare_values(-7.4205, h2kc * df['B3LYPD3-unCP-atz']['S22-22'], digits, 'B3LYPD3-unCP-atz')
            qcdb.compare_values(-2.8746, h2kc * df['B3LYP-CP-adz']['S22-22'], digits, 'B3LYP-CP-adz')
            qcdb.compare_values(-2.9407, h2kc * df['B3LYP-CP-atz']['S22-22'], digits, 'B3LYP-CP-atz')
            qcdb.compare_values(-7.1270, h2kc * df['B3LYPD3-CP-adz']['S22-22'], digits, 'B3LYPD3-CP-adz')
            qcdb.compare_values(-7.1931, h2kc * df['B3LYPD3-CP-atz']['S22-22'], digits, 'B3LYPD3-CP-atz')

            # B2PLYP
            # none match b/c core not frozen in dhdft project

            # B97-D
            qcdb.compare_values(-7.0599, h2kc * df['B97D3-unCP-adz']['S22-22'], digits, 'B97D3-unCP-adz')
            qcdb.compare_values(-6.5760, h2kc * df['B97D3-unCP-atz']['S22-22'], digits, 'B97D3-unCP-atz')

            # wB97X-D
            qcdb.compare_values(-6.9661, h2kc * df['WB97XD-CP-adz']['S22-22'], digits, 'WB97XD-CP-adz')
            qcdb.compare_values(-6.9069, h2kc * df['WB97XD-CP-atz']['S22-22'], digits, 'WB97XD-CP-atz')
            qcdb.compare_values(-7.7283, h2kc * df['WB97XD-unCP-adz']['S22-22'], digits, 'WB97XD-unCP-adz')
            #qcdb.compare_values(-7.2139, h2kc * df['WB97XD-unCP-atz']['S22-22'], digits, 'WB97XD-unCP-atz')
            # aggh, CP are right on but unCP-adz off by 0.02 and unCP-atz by 0.06!

            # M05-2X
            qcdb.compare_values(-5.9556, h2kc * df['M052X-CP-adz']['S22-22'], digits, 'M052X-CP-adz')
            qcdb.compare_values(-6.0724, h2kc * df['M052X-CP-atz']['S22-22'], digits, 'M052X-CP-atz')
            qcdb.compare_values(-6.7954, h2kc * df['M052X-unCP-adz']['S22-22'], digits, 'M052X-unCP-adz')
            qcdb.compare_values(-6.4217, h2kc * df['M052X-unCP-atz']['S22-22'], digits, 'M052X-unCP-atz')

            # M06-2X
            qcdb.compare_values(-6.5146, h2kc * df['M062X-CP-adz']['S22-22'], digits, 'M062X-CP-adz')
            qcdb.compare_values(-6.5581, h2kc * df['M062X-CP-atz']['S22-22'], digits, 'M062X-CP-atz')
            qcdb.compare_values(-7.3393, h2kc * df['M062X-unCP-adz']['S22-22'], digits, 'M062X-unCP-adz')
            qcdb.compare_values(-6.8876, h2kc * df['M062X-unCP-atz']['S22-22'], digits, 'M062X-unCP-atz')
            qcdb.compare_values(-7.8457, h2kc * df['M062XD3-unCP-adz']['S22-22'], digits, 'M062XD3-unCP-adz')
            qcdb.compare_values(-7.3941, h2kc * df['M062XD3-unCP-atz']['S22-22'], digits, 'M062XD3-unCP-atz')

            # PBE
            qcdb.compare_values(-3.8225, h2kc * df['PBE-CP-adz']['S22-22'], digits, 'PBE-CP-adz')
            qcdb.compare_values(-3.8524, h2kc * df['PBE-CP-atz']['S22-22'], digits, 'PBE-CP-atz')
            qcdb.compare_values(-4.5854, h2kc * df['PBE-unCP-adz']['S22-22'], digits, 'PBE-unCP-adz')
            qcdb.compare_values(-4.0802, h2kc * df['PBE-unCP-atz']['S22-22'], digits, 'PBE-unCP-atz')
            qcdb.compare_values(-6.6763, h2kc * df['PBED3-CP-adz']['S22-22'], digits, 'PBED3-CP-adz')
            qcdb.compare_values(-6.7063, h2kc * df['PBED3-CP-atz']['S22-22'], digits, 'PBED3-CP-atz')
            qcdb.compare_values(-7.4392, h2kc * df['PBED3-unCP-adz']['S22-22'], digits, 'PBED3-unCP-adz')
            qcdb.compare_values(-6.9340, h2kc * df['PBED3-unCP-atz']['S22-22'], digits, 'PBED3-unCP-atz')

            # PBE0
            qcdb.compare_values(-4.9388, h2kc * df['PBE0-unCP-adz']['S22-22'], digits, 'PBE0-unCP-adz')
            qcdb.compare_values(-4.3888, h2kc * df['PBE0-unCP-atz']['S22-22'], digits, 'PBE0-unCP-atz')
            qcdb.compare_values(-7.7887, h2kc * df['PBE0D3-unCP-adz']['S22-22'], digits, 'PBE0D3-unCP-adz')  # new dash
            qcdb.compare_values(-7.2387, h2kc * df['PBE0D3-unCP-atz']['S22-22'], digits, 'PBE0D3-unCP-atz')  # new dash

        elif project == 'dft':
            print("""\n        Checks from dft project:\n""")
            digits = 4

            # B3LYP
            qcdb.compare_values(-3.6463, h2kc * df['B3LYP-unCP-adz']['S22-22'], digits, 'B3LYP-unCP-adz')
            qcdb.compare_values(-3.1681, h2kc * df['B3LYP-unCP-atz']['S22-22'], digits, 'B3LYP-unCP-atz')
            qcdb.compare_values(-7.9353, h2kc * df['B3LYPD2-unCP-adz']['S22-22'], digits, 'B3LYPD2-unCP-adz')
            qcdb.compare_values(-7.8987, h2kc * df['B3LYPD3-unCP-adz']['S22-22'], digits, 'B3LYPD3-unCP-adz')
            qcdb.compare_values(-7.4571, h2kc * df['B3LYPD2-unCP-atz']['S22-22'], digits, 'B3LYPD2-unCP-atz')
            qcdb.compare_values(-7.4205, h2kc * df['B3LYPD3-unCP-atz']['S22-22'], digits, 'B3LYPD3-unCP-atz')
            qcdb.compare_values(-2.8746, h2kc * df['B3LYP-CP-adz']['S22-22'], digits, 'B3LYP-CP-adz')
            qcdb.compare_values(-2.9407, h2kc * df['B3LYP-CP-atz']['S22-22'], digits, 'B3LYP-CP-atz')
            qcdb.compare_values(-7.1636, h2kc * df['B3LYPD2-CP-adz']['S22-22'], digits, 'B3LYPD2-CP-adz')
            qcdb.compare_values(-7.1270, h2kc * df['B3LYPD3-CP-adz']['S22-22'], digits, 'B3LYPD3-CP-adz')
            qcdb.compare_values(-7.2297, h2kc * df['B3LYPD2-CP-atz']['S22-22'], digits, 'B3LYPD2-CP-atz')
            qcdb.compare_values(-7.1931, h2kc * df['B3LYPD3-CP-atz']['S22-22'], digits, 'B3LYPD3-CP-atz')
            qcdb.compare_values(-2.8917, h2kc * df['B3LYP-CP-dadz']['S22-22'], digits, 'B3LYP-CP-dadz')
            qcdb.compare_values(-2.9393, h2kc * df['B3LYP-CP-datz']['S22-22'], digits, 'B3LYP-CP-datz')
            qcdb.compare_values(-3.0227, h2kc * df['B3LYP-CP-dz']['S22-22'], digits, 'B3LYP-CP-dz')
            qcdb.compare_values(-2.8620, h2kc * df['B3LYP-CP-hadz']['S22-22'], digits, 'B3LYP-CP-hadz')
            qcdb.compare_values(-2.9278, h2kc * df['B3LYP-CP-hatz']['S22-22'], digits, 'B3LYP-CP-hatz')
            qcdb.compare_values(-2.9521, h2kc * df['B3LYP-CP-tz']['S22-22'], digits, 'B3LYP-CP-tz')
            qcdb.compare_values(-3.6463, h2kc * df['B3LYP-unCP-adz']['S22-22'], digits, 'B3LYP-unCP-adz')
            qcdb.compare_values(-3.1681, h2kc * df['B3LYP-unCP-atz']['S22-22'], digits, 'B3LYP-unCP-atz')
            qcdb.compare_values(-3.9095, h2kc * df['B3LYP-unCP-dadz']['S22-22'], digits, 'B3LYP-unCP-dadz')
            qcdb.compare_values(-3.1769, h2kc * df['B3LYP-unCP-datz']['S22-22'], digits, 'B3LYP-unCP-datz')
            qcdb.compare_values(-6.3591, h2kc * df['B3LYP-unCP-dz']['S22-22'], digits, 'B3LYP-unCP-dz')
            qcdb.compare_values(-3.5103, h2kc * df['B3LYP-unCP-hadz']['S22-22'], digits, 'B3LYP-unCP-hadz')
            qcdb.compare_values(-3.1173, h2kc * df['B3LYP-unCP-hatz']['S22-22'], digits, 'B3LYP-unCP-hatz')
            qcdb.compare_values(-3.3748, h2kc * df['B3LYP-unCP-6311pg_3df_2p_']['S22-22'], digits, 'B3LYP-unCP-6311pg_3df_2p_')
            qcdb.compare_values(-4.1382, h2kc * df['B3LYP-unCP-tz']['S22-22'], digits, 'B3LYP-unCP-tz')
            qcdb.compare_values(-7.1636, h2kc * df['B3LYPD2-CP-adz']['S22-22'], digits, 'B3LYPD2-CP-adz')
            qcdb.compare_values(-7.1270, h2kc * df['B3LYPD3-CP-adz']['S22-22'], digits, 'B3LYPD3-CP-adz')
            qcdb.compare_values(-7.2297, h2kc * df['B3LYPD2-CP-atz']['S22-22'], digits, 'B3LYPD2-CP-atz')
            qcdb.compare_values(-7.1931, h2kc * df['B3LYPD3-CP-atz']['S22-22'], digits, 'B3LYPD3-CP-atz')
            qcdb.compare_values(-7.1807, h2kc * df['B3LYPD2-CP-dadz']['S22-22'], digits, 'B3LYPD2-CP-dadz')
            qcdb.compare_values(-7.1441, h2kc * df['B3LYPD3-CP-dadz']['S22-22'], digits, 'B3LYPD3-CP-dadz')
            qcdb.compare_values(-7.2284, h2kc * df['B3LYPD2-CP-datz']['S22-22'], digits, 'B3LYPD2-CP-datz')
            qcdb.compare_values(-7.1917, h2kc * df['B3LYPD3-CP-datz']['S22-22'], digits, 'B3LYPD3-CP-datz')
            qcdb.compare_values(-7.3117, h2kc * df['B3LYPD2-CP-dz']['S22-22'], digits, 'B3LYPD2-CP-dz')
            qcdb.compare_values(-7.2751, h2kc * df['B3LYPD3-CP-dz']['S22-22'], digits, 'B3LYPD3-CP-dz')
            qcdb.compare_values(-7.1510, h2kc * df['B3LYPD2-CP-hadz']['S22-22'], digits, 'B3LYPD2-CP-hadz')
            qcdb.compare_values(-7.1144, h2kc * df['B3LYPD3-CP-hadz']['S22-22'], digits, 'B3LYPD3-CP-hadz')
            qcdb.compare_values(-7.2168, h2kc * df['B3LYPD2-CP-hatz']['S22-22'], digits, 'B3LYPD2-CP-hatz')
            qcdb.compare_values(-7.1802, h2kc * df['B3LYPD3-CP-hatz']['S22-22'], digits, 'B3LYPD3-CP-hatz')
            qcdb.compare_values(-7.2411, h2kc * df['B3LYPD2-CP-tz']['S22-22'], digits, 'B3LYPD2-CP-tz')
            qcdb.compare_values(-7.2045, h2kc * df['B3LYPD3-CP-tz']['S22-22'], digits, 'B3LYPD3-CP-tz')
            qcdb.compare_values(-7.9353, h2kc * df['B3LYPD2-unCP-adz']['S22-22'], digits, 'B3LYPD2-unCP-adz')
            qcdb.compare_values(-7.8987, h2kc * df['B3LYPD3-unCP-adz']['S22-22'], digits, 'B3LYPD3-unCP-adz')
            qcdb.compare_values(-7.4571, h2kc * df['B3LYPD2-unCP-atz']['S22-22'], digits, 'B3LYPD2-unCP-atz')
            qcdb.compare_values(-7.4205, h2kc * df['B3LYPD3-unCP-atz']['S22-22'], digits, 'B3LYPD3-unCP-atz')
            qcdb.compare_values(-8.1985, h2kc * df['B3LYPD2-unCP-dadz']['S22-22'], digits, 'B3LYPD2-unCP-dadz')
            qcdb.compare_values(-8.1619, h2kc * df['B3LYPD3-unCP-dadz']['S22-22'], digits, 'B3LYPD3-unCP-dadz')
            qcdb.compare_values(-7.4659, h2kc * df['B3LYPD2-unCP-datz']['S22-22'], digits, 'B3LYPD2-unCP-datz')
            qcdb.compare_values(-7.4292, h2kc * df['B3LYPD3-unCP-datz']['S22-22'], digits, 'B3LYPD3-unCP-datz')
            qcdb.compare_values(-7.7993, h2kc * df['B3LYPD2-unCP-hadz']['S22-22'], digits, 'B3LYPD2-unCP-hadz')
            qcdb.compare_values(-7.7627, h2kc * df['B3LYPD3-unCP-hadz']['S22-22'], digits, 'B3LYPD3-unCP-hadz')
            qcdb.compare_values(-7.4063, h2kc * df['B3LYPD2-unCP-hatz']['S22-22'], digits, 'B3LYPD2-unCP-hatz')
            qcdb.compare_values(-7.3696, h2kc * df['B3LYPD3-unCP-hatz']['S22-22'], digits, 'B3LYPD3-unCP-hatz')
            qcdb.compare_values(-7.6638, h2kc * df['B3LYPD2-unCP-6311pg_3df_2p_']['S22-22'], digits, 'B3LYPD2-unCP-6311pg_3df_2p_')
            qcdb.compare_values(-7.6272, h2kc * df['B3LYPD3-unCP-6311pg_3df_2p_']['S22-22'], digits, 'B3LYPD3-unCP-6311pg_3df_2p_')
            qcdb.compare_values(-8.4272, h2kc * df['B3LYPD2-unCP-tz']['S22-22'], digits, 'B3LYPD2-unCP-tz')
            qcdb.compare_values(-8.3906, h2kc * df['B3LYPD3-unCP-tz']['S22-22'], digits, 'B3LYPD3-unCP-tz')
            qcdb.compare_values(-10.6481, h2kc * df['B3LYPD2-unCP-dz']['S22-22'], digits, 'B3LYPD2-unCP-dz')
            qcdb.compare_values(-10.6115, h2kc * df['B3LYPD3-unCP-dz']['S22-22'], digits, 'B3LYPD3-unCP-dz')
            qcdb.compare_values(-7.0947, h2kc * df['B3LYPXDM-unCP-adz']['S22-22'], digits, 'B3LYPXDM-unCP-adz')
            qcdb.compare_values(-6.6365, h2kc * df['B3LYPXDM-unCP-atz']['S22-22'], digits, 'B3LYPXDM-unCP-atz')

            # B2PLYP
            qcdb.compare_values(-6.0428, h2kc * df['B2PLYP-unCP-adz']['S22-22'], digits, 'B2PLYP-unCP-adz')
            qcdb.compare_values(-5.3095, h2kc * df['B2PLYP-unCP-atz']['S22-22'], digits, 'B2PLYP-unCP-atz')
            qcdb.compare_values(-8.2894, h2kc * df['B2PLYPD2-unCP-adz']['S22-22'], digits, 'B2PLYPD2-unCP-adz')
            qcdb.compare_values(-7.5561, h2kc * df['B2PLYPD2-unCP-atz']['S22-22'], digits, 'B2PLYPD2-unCP-atz')
            qcdb.compare_values(-8.2907, h2kc * df['B2PLYPD3-unCP-adz']['S22-22'], digits, 'B2PLYPD3-unCP-adz')  # new dash
            qcdb.compare_values(-7.5574, h2kc * df['B2PLYPD3-unCP-atz']['S22-22'], digits, 'B2PLYPD3-unCP-atz')  # new dash
            #qcdb.compare_values(-8.2709, h2kc * df['B2PLYPD3-unCP-adz']['S22-22'], digits, 'B2PLYPD3-unCP-adz')  # dftbench paper, old dash
            #qcdb.compare_values(-7.5376, h2kc * df['B2PLYPD3-unCP-atz']['S22-22'], digits, 'B2PLYPD3-unCP-atz')  # dftbench paper, old dash

            # B970
            qcdb.compare_values(-3.0925, h2kc * df['B970-CP-adz']['S22-22'], digits, 'B970-CP-adz')
            qcdb.compare_values(-3.1405, h2kc * df['B970-CP-atz']['S22-22'], digits, 'B970-CP-atz')
            qcdb.compare_values(-3.2000, h2kc * df['B970-CP-dz']['S22-22'], digits, 'B970-CP-dz')
            qcdb.compare_values(-3.0855, h2kc * df['B970-CP-hadz']['S22-22'], digits, 'B970-CP-hadz')
            qcdb.compare_values(-3.1304, h2kc * df['B970-CP-hatz']['S22-22'], digits, 'B970-CP-hatz')
            qcdb.compare_values(-3.1281, h2kc * df['B970-CP-tz']['S22-22'], digits, 'B970-CP-tz')
            qcdb.compare_values(-3.8891, h2kc * df['B970-unCP-adz']['S22-22'], digits, 'B970-unCP-adz')
            qcdb.compare_values(-3.3569, h2kc * df['B970-unCP-atz']['S22-22'], digits, 'B970-unCP-atz')
            qcdb.compare_values(-6.2374, h2kc * df['B970-unCP-dz']['S22-22'], digits, 'B970-unCP-dz')
            qcdb.compare_values(-3.7382, h2kc * df['B970-unCP-hadz']['S22-22'], digits, 'B970-unCP-hadz')
            qcdb.compare_values(-3.3079, h2kc * df['B970-unCP-hatz']['S22-22'], digits, 'B970-unCP-hatz')
            qcdb.compare_values(-4.2457, h2kc * df['B970-unCP-tz']['S22-22'], digits, 'B970-unCP-tz')
            qcdb.compare_values(-6.1561, h2kc * df['B970D2-CP-adz']['S22-22'], digits, 'S22-B970D2-CP-adz')
            qcdb.compare_values(-6.2041, h2kc * df['B970D2-CP-atz']['S22-22'], digits, 'S22-B970D2-CP-atz')
            qcdb.compare_values(-6.2635, h2kc * df['B970D2-CP-dz']['S22-22'], digits, 'S22-B970D2-CP-dz')
            qcdb.compare_values(-6.1491, h2kc * df['B970D2-CP-hadz']['S22-22'], digits, 'S22-B970D2-CP-hadz')
            qcdb.compare_values(-6.1939, h2kc * df['B970D2-CP-hatz']['S22-22'], digits, 'S22-B970D2-CP-hatz')
            qcdb.compare_values(-6.1917, h2kc * df['B970D2-CP-tz']['S22-22'], digits, 'S22-B970D2-CP-tz')
            qcdb.compare_values(-6.9526, h2kc * df['B970D2-unCP-adz']['S22-22'], digits, 'S22-B970D2-unCP-adz')
            qcdb.compare_values(-6.4205, h2kc * df['B970D2-unCP-atz']['S22-22'], digits, 'S22-B970D2-unCP-atz')
            qcdb.compare_values(-9.3010, h2kc * df['B970D2-unCP-dz']['S22-22'], digits, 'S22-B970D2-unCP-dz')
            qcdb.compare_values(-6.8018, h2kc * df['B970D2-unCP-hadz']['S22-22'], digits, 'S22-B970D2-unCP-hadz')
            qcdb.compare_values(-6.3715, h2kc * df['B970D2-unCP-hatz']['S22-22'], digits, 'S22-B970D2-unCP-hatz')
            qcdb.compare_values(-7.3093, h2kc * df['B970D2-unCP-tz']['S22-22'], digits, 'S22-B970D2-unCP-tz')

            # B97-D
            qcdb.compare_values(-1.6396, h2kc * df['B97-unCP-adz']['S22-22'], digits, 'B97-unCP-adz')
            qcdb.compare_values(-1.1556, h2kc * df['B97-unCP-atz']['S22-22'], digits, 'B97-unCP-atz')
            qcdb.compare_values(-1.4969, h2kc * df['B97-unCP-hadz']['S22-22'], digits, 'B97-unCP-hadz')
            qcdb.compare_values(-1.0966, h2kc * df['B97-unCP-hatz']['S22-22'], digits, 'B97-unCP-hatz')
            qcdb.compare_values(-6.7455, h2kc * df['B97D2-unCP-adz']['S22-22'], digits, 'B97D2-unCP-adz')
            qcdb.compare_values(-7.0599, h2kc * df['B97D3-unCP-adz']['S22-22'], digits, 'B97D3-unCP-adz')
            qcdb.compare_values(-6.2616, h2kc * df['B97D2-unCP-atz']['S22-22'], digits, 'B97D2-unCP-atz')
            qcdb.compare_values(-6.5760, h2kc * df['B97D3-unCP-atz']['S22-22'], digits, 'B97D3-unCP-atz')
            qcdb.compare_values(-6.9173, h2kc * df['B97D3-unCP-hadz']['S22-22'], digits, 'B97D3-unCP-hadz')
            qcdb.compare_values(-6.5170, h2kc * df['B97D3-unCP-hatz']['S22-22'], digits, 'B97D3-unCP-hatz')

            # BP86
            qcdb.compare_values(-2.2746, h2kc * df['BP86-CP-adz']['S22-22'], digits, 'BP86-CP-adz')
            qcdb.compare_values(-2.3338, h2kc * df['BP86-CP-atz']['S22-22'], digits, 'BP86-CP-atz')
            qcdb.compare_values(-2.3254, h2kc * df['BP86-CP-dz']['S22-22'], digits, 'BP86-CP-dz')
            qcdb.compare_values(-2.2529, h2kc * df['BP86-CP-hadz']['S22-22'], digits, 'BP86-CP-hadz')
            qcdb.compare_values(-2.3292, h2kc * df['BP86-CP-hatz']['S22-22'], digits, 'BP86-CP-hatz')
            qcdb.compare_values(-2.3577, h2kc * df['BP86-CP-tz']['S22-22'], digits, 'BP86-CP-tz')
            qcdb.compare_values(-3.0384, h2kc * df['BP86-unCP-adz']['S22-22'], digits, 'BP86-unCP-adz')
            qcdb.compare_values(-2.6030, h2kc * df['BP86-unCP-atz']['S22-22'], digits, 'BP86-unCP-atz')
            qcdb.compare_values(-5.4818, h2kc * df['BP86-unCP-dz']['S22-22'], digits, 'BP86-unCP-dz')
            qcdb.compare_values(-2.8822, h2kc * df['BP86-unCP-hadz']['S22-22'], digits, 'BP86-unCP-hadz')
            qcdb.compare_values(-2.5505, h2kc * df['BP86-unCP-hatz']['S22-22'], digits, 'BP86-unCP-hatz')
            qcdb.compare_values(-3.4885, h2kc * df['BP86-unCP-tz']['S22-22'], digits, 'BP86-unCP-tz')
            qcdb.compare_values(-6.5636, h2kc * df['BP86D2-CP-adz']['S22-22'], digits, 'BP86D2-CP-adz')
            qcdb.compare_values(-6.6228, h2kc * df['BP86D2-CP-atz']['S22-22'], digits, 'BP86D2-CP-atz')
            qcdb.compare_values(-6.6145, h2kc * df['BP86D2-CP-dz']['S22-22'], digits, 'BP86D2-CP-dz')
            qcdb.compare_values(-6.5419, h2kc * df['BP86D2-CP-hadz']['S22-22'], digits, 'BP86D2-CP-hadz')
            qcdb.compare_values(-6.6182, h2kc * df['BP86D2-CP-hatz']['S22-22'], digits, 'BP86D2-CP-hatz')
            qcdb.compare_values(-6.6467, h2kc * df['BP86D2-CP-tz']['S22-22'], digits, 'BP86D2-CP-tz')
            qcdb.compare_values(-7.3274, h2kc * df['BP86D2-unCP-adz']['S22-22'], digits, 'BP86D2-unCP-adz')
            qcdb.compare_values(-7.9997, h2kc * df['BP86D3-unCP-adz']['S22-22'], digits, 'BP86D3-unCP-adz')
            qcdb.compare_values(-6.8920, h2kc * df['BP86D2-unCP-atz']['S22-22'], digits, 'BP86D2-unCP-atz')
            qcdb.compare_values(-7.5644, h2kc * df['BP86D3-unCP-atz']['S22-22'], digits, 'BP86D3-unCP-atz')
            qcdb.compare_values(-9.7708, h2kc * df['BP86D2-unCP-dz']['S22-22'], digits, 'BP86D2-unCP-dz')
            qcdb.compare_values(-7.1712, h2kc * df['BP86D2-unCP-hadz']['S22-22'], digits, 'BP86D2-unCP-hadz')
            qcdb.compare_values(-6.8395, h2kc * df['BP86D2-unCP-hatz']['S22-22'], digits, 'BP86D2-unCP-hatz')
            qcdb.compare_values(-7.7775, h2kc * df['BP86D2-unCP-tz']['S22-22'], digits, 'BP86D2-unCP-tz')

            # wB97X-D
            qcdb.compare_values(-6.9661, h2kc * df['WB97XD-CP-adz']['S22-22'], digits, 'WB97XD-CP-adz')
            qcdb.compare_values(-6.9069, h2kc * df['WB97XD-CP-atz']['S22-22'], digits, 'WB97XD-CP-atz')
            qcdb.compare_values(-6.8996, h2kc * df['WB97XD-CP-dz']['S22-22'], digits, 'WB97XD-CP-dz')
            qcdb.compare_values(-6.9392, h2kc * df['WB97XD-CP-hadz']['S22-22'], digits, 'WB97XD-CP-hadz')
            qcdb.compare_values(-6.9245, h2kc * df['WB97XD-CP-hatz']['S22-22'], digits, 'WB97XD-CP-hatz')
            qcdb.compare_values(-6.9123, h2kc * df['WB97XD-CP-tz']['S22-22'], digits, 'WB97XD-CP-tz')
            qcdb.compare_values(-7.7283, h2kc * df['WB97XD-unCP-adz']['S22-22'], digits, 'WB97XD-unCP-adz')
            qcdb.compare_values(-7.2139, h2kc * df['WB97XD-unCP-atz']['S22-22'], digits, 'WB97XD-unCP-atz')
            qcdb.compare_values(-9.6968, h2kc * df['WB97XD-unCP-dz']['S22-22'], digits, 'WB97XD-unCP-dz')
            qcdb.compare_values(-7.5543, h2kc * df['WB97XD-unCP-hadz']['S22-22'], digits, 'WB97XD-unCP-hadz')
            qcdb.compare_values(-7.1715, h2kc * df['WB97XD-unCP-hatz']['S22-22'], digits, 'WB97XD-unCP-hatz')
            qcdb.compare_values(-7.9090, h2kc * df['WB97XD-unCP-tz']['S22-22'], digits, 'WB97XD-unCP-tz')

            # M05-2X
            qcdb.compare_values(-5.9556, h2kc * df['M052X-CP-adz']['S22-22'], digits, 'M052X-CP-adz')
            qcdb.compare_values(-6.0724, h2kc * df['M052X-CP-atz']['S22-22'], digits, 'M052X-CP-atz')
            qcdb.compare_values(-5.8742, h2kc * df['M052X-CP-dz']['S22-22'], digits, 'M052X-CP-dz')
            qcdb.compare_values(-5.9155, h2kc * df['M052X-CP-hadz']['S22-22'], digits, 'M052X-CP-hadz')
            qcdb.compare_values(-6.0799, h2kc * df['M052X-CP-hatz']['S22-22'], digits, 'M052X-CP-hatz')
            qcdb.compare_values(-6.0215, h2kc * df['M052X-CP-tz']['S22-22'], digits, 'M052X-CP-tz')
            qcdb.compare_values(-6.7954, h2kc * df['M052X-unCP-adz']['S22-22'], digits, 'M052X-unCP-adz')
            qcdb.compare_values(-6.4217, h2kc * df['M052X-unCP-atz']['S22-22'], digits, 'M052X-unCP-atz')
            qcdb.compare_values(-8.6857, h2kc * df['M052X-unCP-dz']['S22-22'], digits, 'M052X-unCP-dz')
            qcdb.compare_values(-6.5930, h2kc * df['M052X-unCP-hadz']['S22-22'], digits, 'M052X-unCP-hadz')
            qcdb.compare_values(-6.3553, h2kc * df['M052X-unCP-hatz']['S22-22'], digits, 'M052X-unCP-hatz')
            qcdb.compare_values(-6.9496, h2kc * df['M052X-unCP-tz']['S22-22'], digits, 'M052X-unCP-tz')
            qcdb.compare_values(-7.6826, h2kc * df['M052XD3-unCP-adz']['S22-22'], digits, 'M052XD3-unCP-adz')
            qcdb.compare_values(-7.3088, h2kc * df['M052XD3-unCP-atz']['S22-22'], digits, 'M052XD3-unCP-atz')

            # M06-2X
            qcdb.compare_values(-6.5146, h2kc * df['M062X-CP-adz']['S22-22'], digits, 'M062X-CP-adz')
            qcdb.compare_values(-6.5581, h2kc * df['M062X-CP-atz']['S22-22'], digits, 'M062X-CP-atz')
            qcdb.compare_values(-6.3411, h2kc * df['M062X-CP-dz']['S22-22'], digits, 'M062X-CP-dz')
            qcdb.compare_values(-6.4566, h2kc * df['M062X-CP-hadz']['S22-22'], digits, 'M062X-CP-hadz')
            qcdb.compare_values(-6.5696, h2kc * df['M062X-CP-hatz']['S22-22'], digits, 'M062X-CP-hatz')
            qcdb.compare_values(-6.4499, h2kc * df['M062X-CP-tz']['S22-22'], digits, 'M062X-CP-tz')
            qcdb.compare_values(-7.3393, h2kc * df['M062X-unCP-adz']['S22-22'], digits, 'M062X-unCP-adz')
            qcdb.compare_values(-6.8876, h2kc * df['M062X-unCP-atz']['S22-22'], digits, 'M062X-unCP-atz')
            qcdb.compare_values(-9.1232, h2kc * df['M062X-unCP-dz']['S22-22'], digits, 'M062X-unCP-dz')
            qcdb.compare_values(-7.1083, h2kc * df['M062X-unCP-hadz']['S22-22'], digits, 'M062X-unCP-hadz')
            qcdb.compare_values(-6.8307, h2kc * df['M062X-unCP-hatz']['S22-22'], digits, 'M062X-unCP-hatz')
            qcdb.compare_values(-7.4349, h2kc * df['M062X-unCP-tz']['S22-22'], digits, 'M062X-unCP-tz')
            qcdb.compare_values(-7.8457, h2kc * df['M062XD3-unCP-adz']['S22-22'], digits, 'M062XD3-unCP-adz')
            qcdb.compare_values(-7.3941, h2kc * df['M062XD3-unCP-atz']['S22-22'], digits, 'M062XD3-unCP-atz')

            # PBE
            qcdb.compare_values(-3.8225, h2kc * df['PBE-CP-adz']['S22-22'], digits, 'PBE-CP-adz')
            qcdb.compare_values(-3.8524, h2kc * df['PBE-CP-atz']['S22-22'], digits, 'PBE-CP-atz')
            qcdb.compare_values(-3.8816, h2kc * df['PBE-CP-dz']['S22-22'], digits, 'PBE-CP-dz')
            qcdb.compare_values(-3.8091, h2kc * df['PBE-CP-hadz']['S22-22'], digits, 'PBE-CP-hadz')
            qcdb.compare_values(-3.8445, h2kc * df['PBE-CP-hatz']['S22-22'], digits, 'PBE-CP-hatz')
            qcdb.compare_values(-3.8422, h2kc * df['PBE-CP-tz']['S22-22'], digits, 'PBE-CP-tz')
            qcdb.compare_values(-4.5854, h2kc * df['PBE-unCP-adz']['S22-22'], digits, 'PBE-unCP-adz')
            qcdb.compare_values(-4.0802, h2kc * df['PBE-unCP-atz']['S22-22'], digits, 'PBE-unCP-atz')
            qcdb.compare_values(-7.3095, h2kc * df['PBE-unCP-dz']['S22-22'], digits, 'PBE-unCP-dz')
            qcdb.compare_values(-4.4503, h2kc * df['PBE-unCP-hadz']['S22-22'], digits, 'PBE-unCP-hadz')
            qcdb.compare_values(-4.0317, h2kc * df['PBE-unCP-hatz']['S22-22'], digits, 'PBE-unCP-hatz')
            qcdb.compare_values(-5.1308, h2kc * df['PBE-unCP-tz']['S22-22'], digits, 'PBE-unCP-tz')
            qcdb.compare_values(-6.8861, h2kc * df['PBED2-CP-adz']['S22-22'], digits, 'PBED2-CP-adz')
            qcdb.compare_values(-6.6763, h2kc * df['PBED3-CP-adz']['S22-22'], digits, 'PBED3-CP-adz')
            qcdb.compare_values(-6.9160, h2kc * df['PBED2-CP-atz']['S22-22'], digits, 'PBED2-CP-atz')
            qcdb.compare_values(-6.7063, h2kc * df['PBED3-CP-atz']['S22-22'], digits, 'PBED3-CP-atz')
            qcdb.compare_values(-6.9451, h2kc * df['PBED2-CP-dz']['S22-22'], digits, 'PBED2-CP-dz')
            qcdb.compare_values(-6.7354, h2kc * df['PBED3-CP-dz']['S22-22'], digits, 'PBED3-CP-dz')
            qcdb.compare_values(-6.8727, h2kc * df['PBED2-CP-hadz']['S22-22'], digits, 'PBED2-CP-hadz')
            qcdb.compare_values(-6.6630, h2kc * df['PBED3-CP-hadz']['S22-22'], digits, 'PBED3-CP-hadz')
            qcdb.compare_values(-6.9081, h2kc * df['PBED2-CP-hatz']['S22-22'], digits, 'PBED2-CP-hatz')
            qcdb.compare_values(-6.6983, h2kc * df['PBED3-CP-hatz']['S22-22'], digits, 'PBED3-CP-hatz')
            qcdb.compare_values(-6.9057, h2kc * df['PBED2-CP-tz']['S22-22'], digits, 'PBED2-CP-tz')
            qcdb.compare_values(-6.6960, h2kc * df['PBED3-CP-tz']['S22-22'], digits, 'PBED3-CP-tz')
            qcdb.compare_values(-7.6490, h2kc * df['PBED2-unCP-adz']['S22-22'], digits, 'PBED2-unCP-adz')
            qcdb.compare_values(-7.4392, h2kc * df['PBED3-unCP-adz']['S22-22'], digits, 'PBED3-unCP-adz')
            qcdb.compare_values(-7.1438, h2kc * df['PBED2-unCP-atz']['S22-22'], digits, 'PBED2-unCP-atz')
            qcdb.compare_values(-6.9340, h2kc * df['PBED3-unCP-atz']['S22-22'], digits, 'PBED3-unCP-atz')
            qcdb.compare_values(-7.5139, h2kc * df['PBED2-unCP-hadz']['S22-22'], digits, 'PBED2-unCP-hadz')
            qcdb.compare_values(-7.3041, h2kc * df['PBED3-unCP-hadz']['S22-22'], digits, 'PBED3-unCP-hadz')
            qcdb.compare_values(-7.0952, h2kc * df['PBED2-unCP-hatz']['S22-22'], digits, 'PBED2-unCP-hatz')
            qcdb.compare_values(-6.8855, h2kc * df['PBED3-unCP-hatz']['S22-22'], digits, 'PBED3-unCP-hatz')
            qcdb.compare_values(-8.1944, h2kc * df['PBED2-unCP-tz']['S22-22'], digits, 'PBED2-unCP-tz')
            qcdb.compare_values(-7.9847, h2kc * df['PBED3-unCP-tz']['S22-22'], digits, 'PBED3-unCP-tz')
            qcdb.compare_values(-10.3731, h2kc * df['PBED2-unCP-dz']['S22-22'], digits, 'PBED2-unCP-dz')
            qcdb.compare_values(-10.1634, h2kc * df['PBED3-unCP-dz']['S22-22'], digits, 'PBED3-unCP-dz')

            # PBE0
            qcdb.compare_values(-4.9388, h2kc * df['PBE0-unCP-adz']['S22-22'], digits, 'PBE0-unCP-adz')
            qcdb.compare_values(-4.3888, h2kc * df['PBE0-unCP-atz']['S22-22'], digits, 'PBE0-unCP-atz')
            qcdb.compare_values(-7.3897, h2kc * df['PBE0D2-unCP-adz']['S22-22'], digits, 'PBE0D2-unCP-adz')
            qcdb.compare_values(-6.8397, h2kc * df['PBE0D2-unCP-atz']['S22-22'], digits, 'PBE0D2-unCP-atz')
            qcdb.compare_values(-7.7887, h2kc * df['PBE0D3-unCP-adz']['S22-22'], digits, 'PBE0D3-unCP-adz')  # new dash
            qcdb.compare_values(-7.2387, h2kc * df['PBE0D3-unCP-atz']['S22-22'], digits, 'PBE0D3-unCP-atz')  # new dash
            #qcdb.compare_values(-7.8275, h2kc * df['PBE0D3-unCP-adz']['S22-22'], digits, 'PBE0D3-unCP-adz')  # dftbench paper, old dash
            #qcdb.compare_values(-7.2775, h2kc * df['PBE0D3-unCP-atz']['S22-22'], digits, 'PBE0D3-unCP-atz')  # dftbench paper, old dash

            # XYG3
            qcdb.compare_values(-7.2745, h2kc * df['XYG3-unCP-adz']['S22-22'], digits, 'XYG3-unCP-adz')
            qcdb.compare_values(-6.4390, h2kc * df['XYG3-unCP-atz']['S22-22'], digits, 'XYG3-unCP-atz')
            qcdb.compare_values(-7.5166, h2kc * df['XYG3-unCP-6311pg_3df_2p_']['S22-22'], digits, 'XYG3-unCP-6311pg_3df_2p_')
            qcdb.compare_values(-6.7097, h2kc * df['XYG3-unCP-6311ppg_3df_2p_']['S22-22'], digits, 'XYG3-unCP-6311ppg_3df_2p_')

        elif project == 'parenq':
            print("""\n        Checks from parenq project:\n""")
            digits = 4

            qcdb.compare_values(-3.7422, h2kc * df['HF-CP-atz']['A24-4'], digits, 'HF-CP-atz')
            qcdb.compare_values(-3.7558, h2kc * df['HF-CP-adz']['A24-4'], digits, 'HF-CP-adz')
            qcdb.compare_values(-3.8121, h2kc * df['HF-CP-hadz']['A24-4'], digits, 'HF-CP-hadz')
            qcdb.compare_values(-3.7479, h2kc * df['HF-CP-jadz']['A24-4'], digits, 'HF-CP-jadz')

            qcdb.compare_values(-4.2839, h2kc * df['CCSDT-fno1e5-CP-atz']['A24-4'], digits, 'CCSDT-fno1e5-CP-atz')
            qcdb.compare_values(-3.8546, h2kc * df['CCSDT-fno1e4-CP-atz']['A24-4'], digits, 'CCSDT-fno1e4-CP-atz')
            qcdb.compare_values(-3.9771, h2kc * df['CCSDT-full-CP-adz']['A24-4'], digits, 'CCSDT-full-CP-adz')
            qcdb.compare_values(-3.9894, h2kc * df['CCSDT-fno1e6-CP-adz']['A24-4'], digits, 'CCSDT-fno1e6-CP-adz')
            qcdb.compare_values(-4.0386, h2kc * df['CCSDT-fno1e5-CP-adz']['A24-4'], digits, 'CCSDT-fno1e5-CP-adz')
            qcdb.compare_values(-4.1458, h2kc * df['CCSDT-fno5e5-CP-adz']['A24-4'], digits, 'CCSDT-fno5e5-CP-adz')
            qcdb.compare_values(-3.9510, h2kc * df['CCSDT-fno1e4-CP-adz']['A24-4'], digits, 'CCSDT-fno1e4-CP-adz')
            qcdb.compare_values(-3.9510, h2kc * df['CCSDT-fno1e4-mrcc-CP-adz']['A24-4'], digits, 'CCSDT-fno1e4-mrcc-CP-adz')
            qcdb.compare_values(-3.8526, h2kc * df['CCSDT-full-CP-hadz']['A24-4'], digits, 'CCSDT-full-CP-hadz')
            qcdb.compare_values(-3.4657, h2kc * df['CCSDT-full-CP-jadz']['A24-4'], digits, 'CCSDT-full-CP-jadz')

            qcdb.compare_values(-4.2905, h2kc * df['CCSDTQ-fno1e5-CP-atz']['A24-4'], digits, 'CCSDTQ-fno1e5-CP-atz')
            qcdb.compare_values(-3.8583, h2kc * df['CCSDTQ-fno1e4-CP-atz']['A24-4'], digits, 'CCSDTQ-fno1e4-CP-atz')
            qcdb.compare_values(-3.9703, h2kc * df['CCSDTQ-full-CP-adz']['A24-4'], digits, 'CCSDTQ-full-CP-adz')
            qcdb.compare_values(-3.9836, h2kc * df['CCSDTQ-fno1e6-CP-adz']['A24-4'], digits, 'CCSDTQ-fno1e6-CP-adz')
            qcdb.compare_values(-4.0340, h2kc * df['CCSDTQ-fno1e5-CP-adz']['A24-4'], digits, 'CCSDTQ-fno1e5-CP-adz')
            qcdb.compare_values(-4.1418, h2kc * df['CCSDTQ-fno5e5-CP-adz']['A24-4'], digits, 'CCSDTQ-fno5e5-CP-adz')
            qcdb.compare_values(-3.9456, h2kc * df['CCSDTQ-fno1e4-CP-adz']['A24-4'], digits, 'CCSDTQ-fno1e4-CP-adz')
            qcdb.compare_values(-3.9964, h2kc * df['CCSDTQ-full-CP-hadz']['A24-4'], digits, 'CCSDTQ-full-CP-hadz')
            qcdb.compare_values(-3.4632, h2kc * df['CCSDTQ-full-CP-jadz']['A24-4'], digits, 'CCSDTQ-full-CP-jadz')

            qcdb.compare_values(-3.0433, h2kc * df['CCSDTQ-fno1e4-CP-adtz']['A24-9'], digits, 'CCSDTQ-fno1e4-CP-adtz')

        elif project == 'f12dilabio':
            print("""\n        Checks from f12dilabio project:\n""")
            digits = 4

            qcdb.compare_values(-2.4749, h2kc * df['HFCABS-CP-adz']['A24-9'], digits, 'HFCABS-CP-adz')
            qcdb.compare_values(-4.5972, h2kc * df['CCSDTAF12-CP-adz']['A24-9'], digits, 'CCSDTAF12-CP-adz')
            qcdb.compare_values(-4.4354, h2kc * df['CCSDTBF12-CP-adz']['A24-9'], digits, 'CCSDTBF12-CP-adz')
            qcdb.compare_values(-4.4726, h2kc * df['CCSDTCF12-CP-adz']['A24-9'], digits, 'CCSDTCF12-CP-adz')  # corr, translate error b/c tz scf
            qcdb.compare_values(-4.5830, h2kc * df['DWCCSDTF12-CP-adz']['A24-9'], digits, 'DWCCSDTF12-CP-adz')
            qcdb.compare_values(-4.5913, h2kc * df['DWCCSDTF12-CP-atz']['A24-9'], digits, 'DWCCSDTF12-CP-atz')  # corr, not separate atz def in reapsets
            qcdb.compare_values(-4.5669, h2kc * df['MP2F12-CP-adz']['A24-9'], digits, 'MP2F12-CP-adz')
            qcdb.compare_values(-4.5767, h2kc * df['CCSDTAF12-CP-a5z']['A24-9'], digits, 'CCSDTAF12-CP-a5z')
            qcdb.compare_values(-4.5855, h2kc * df['CCSDTAF12-CP-aqz']['A24-9'], digits, 'CCSDTAF12-CP-aqz')
            qcdb.compare_values(-4.6042, h2kc * df['CCSDTAF12-CP-atz']['A24-9'], digits, 'CCSDTAF12-CP-atz')
            qcdb.compare_values(-4.3559, h2kc * df['CCSDTAF12-CP-dzf12']['A24-9'], digits, 'CCSDTAF12-CP-dzf12')  # corr, translate error b/c tz scf
            qcdb.compare_values(-4.2422, h2kc * df['CCSDTBF12-CP-dzf12']['A24-9'], digits, 'CCSDTBF12-CP-dzf12')  # corr, translate error b/c tz scf
            qcdb.compare_values(-4.2744, h2kc * df['CCSDTCF12-CP-dzf12']['A24-9'], digits, 'CCSDTCF12-CP-dzf12')  # corr, translate error b/c tz scf
            qcdb.compare_values(-2.4582, h2kc * df['HFCABS-CP-dzf12']['A24-9'], digits, 'HFCABS-CP-dzf12')  # added
            #qcdb.compare_values(, h2kc * df['HFCABS-CP-tzf12']['A24-9'], digits, 'HFCABS-CP-tzf12')  # added
            #qcdb.compare_values(-2.4692, h2kc * df['HFCABS-CP-qzf12']['A24-9'], digits, 'HFCABS-CP-qzf12')  # added
            qcdb.compare_values(-4.5204, h2kc * df['CCSDTAF12-CP-tzf12']['A24-9'], digits, 'CCSDTAF12-CP-tzf12')
            qcdb.compare_values(-4.5692, h2kc * df['CCSDTAF12-CP-qzf12']['A24-9'], digits, 'CCSDTAF12-CP-qzf12')
            qcdb.compare_values(-4.5556, h2kc * df['CCSDTBF12-CP-a5z']['A24-9'], digits, 'CCSDTBF12-CP-a5z')
            qcdb.compare_values(-4.5495, h2kc * df['CCSDTBF12-CP-aqz']['A24-9'], digits, 'CCSDTBF12-CP-aqz')
            qcdb.compare_values(-4.5365, h2kc * df['CCSDTBF12-CP-atz']['A24-9'], digits, 'CCSDTBF12-CP-atz')
            qcdb.compare_values(-4.6084, h2kc * df['CCSDTAF12-CP-adtz']['A24-9'], digits, 'CCSDTAF12-CP-adtz')  # corr, working from older version of Dom's f12dilabio.py
            qcdb.compare_values(-4.5673, h2kc * df['CCSDTAF12-CP-aq5z']['A24-9'], digits, 'CCSDTAF12-CP-aq5z')  # corr, working from older version of Dom's f12dilabio.py
            qcdb.compare_values(-4.5705, h2kc * df['CCSDTAF12-CP-atqz']['A24-9'], digits, 'CCSDTAF12-CP-atqz')  # corr, working from older version of Dom's f12dilabio.py
            qcdb.compare_values(-4.5851, h2kc * df['CCSDTAF12-CP-dtzf12']['A24-9'], digits, 'CCSDTAF12-CP-dtzf12')  # corr, working from older version of Dom's f12dilabio.py
            qcdb.compare_values(-4.6017, h2kc * df['CCSDTAF12-CP-tqzf12']['A24-9'], digits, 'CCSDTAF12-CP-tqzf12')  # corr, working from older version of Dom's f12dilabio.py
            qcdb.compare_values(-4.5804, h2kc * df['CCSDTBF12-CP-adtz']['A24-9'], digits, 'CCSDTBF12-CP-adtz')  # corr, working from older version of Dom's f12dilabio.py
            qcdb.compare_values(-4.5619, h2kc * df['CCSDTBF12-CP-aq5z']['A24-9'], digits, 'CCSDTBF12-CP-aq5z')  # corr, working from older version of Dom's f12dilabio.py
            qcdb.compare_values(-4.5576, h2kc * df['CCSDTBF12-CP-atqz']['A24-9'], digits, 'CCSDTBF12-CP-atqz')  # corr, working from older version of Dom's f12dilabio.py
            qcdb.compare_values(-4.5547, h2kc * df['CCSDTBF12-CP-dtzf12']['A24-9'], digits, 'CCSDTBF12-CP-dtzf12')  # corr, working from older version of Dom's f12dilabio.py
            qcdb.compare_values(-4.5873, h2kc * df['CCSDTBF12-CP-tqzf12']['A24-9'], digits, 'CCSDTBF12-CP-tqzf12')  # corr, working from older version of Dom's f12dilabio.py
            qcdb.compare_values(-4.5752, h2kc * df['CCSDTCF12-CP-adtz']['A24-9'], digits, 'CCSDTCF12-CP-adtz')  # corr, working from older version of Dom's f12dilabio.py
            qcdb.compare_values(-4.5447, h2kc * df['CCSDTCF12-CP-atqz']['A24-9'], digits, 'CCSDTCF12-CP-atqz')  # corr, working from older version of Dom's f12dilabio.py
            qcdb.compare_values(-4.5462, h2kc * df['CCSDTCF12-CP-dtzf12']['A24-9'], digits, 'CCSDTCF12-CP-dtzf12')  # corr, working from older version of Dom's f12dilabio.py
            qcdb.compare_values(-4.5756, h2kc * df['CCSDTCF12-CP-tqzf12']['A24-9'], digits, 'CCSDTCF12-CP-tqzf12')  # corr, working from older version of Dom's f12dilabio.py
            qcdb.compare_values(-4.5377, h2kc * df['CCSDTBF12-CP-qzf12']['A24-9'], digits, 'CCSDTBF12-CP-qzf12')
            qcdb.compare_values(-4.4653, h2kc * df['CCSDTBF12-CP-tzf12']['A24-9'], digits, 'CCSDTBF12-CP-tzf12')
            qcdb.compare_values(-4.5451, h2kc * df['CCSDTCF12-CP-aqz']['A24-9'], digits, 'CCSDTCF12-CP-aqz')
            qcdb.compare_values(-4.5439, h2kc * df['CCSDTCF12-CP-atz']['A24-9'], digits, 'CCSDTCF12-CP-atz')
            qcdb.compare_values(-4.5324, h2kc * df['CCSDTCF12-CP-qzf12']['A24-9'], digits, 'CCSDTCF12-CP-qzf12')
            qcdb.compare_values(-4.4688, h2kc * df['CCSDTCF12-CP-tzf12']['A24-9'], digits, 'CCSDTCF12-CP-tzf12')
            qcdb.compare_values(-2.4739, h2kc * df['HFCABS-CP-a5z']['A24-9'], digits, 'HFCABS-CP-a5z')
            qcdb.compare_values(-2.4737, h2kc * df['HFCABS-CP-aqz']['A24-9'], digits, 'HFCABS-CP-aqz')
            qcdb.compare_values(-2.4719, h2kc * df['HFCABS-CP-atz']['A24-9'], digits, 'HFCABS-CP-atz')
            qcdb.compare_values(-4.6070, h2kc * df['MP2F12-CP-atz']['A24-9'], digits, 'MP2F12-CP-atz')
            qcdb.compare_values(-4.5927, h2kc * df['MP2F12-CP-aqz']['A24-9'], digits, 'MP2F12-CP-aqz')
            qcdb.compare_values(-4.5954, h2kc * df['MP2F12-CP-a5z']['A24-9'], digits, 'MP2F12-CP-a5z')
            qcdb.compare_values(-4.6251, h2kc * df['MP2F12-CP-adtz']['A24-9'], digits, 'MP2F12-CP-adtz')  # corr, working from older version of Dom's f12dilabio.py
            qcdb.compare_values(-4.5980, h2kc * df['MP2F12-CP-aq5z']['A24-9'], digits, 'MP2F12-CP-aq5z')  # corr, working from older version of Dom's f12dilabio.py
            qcdb.compare_values(-4.5810, h2kc * df['MP2F12-CP-atqz']['A24-9'], digits, 'MP2F12-CP-atqz')  # corr, working from older version of Dom's f12dilabio.py
            qcdb.compare_values(-4.6099, h2kc * df['CCSDTAF12-CP-hill1_adtz']['A24-9'], digits, 'CCSDTAF12-CP-hill1_adtz')
            qcdb.compare_values(-4.5769, h2kc * df['CCSDTAF12-CP-hill1_atqz']['A24-9'], digits, 'CCSDTAF12-CP-hill1_atqz')
            qcdb.compare_values(-4.5722, h2kc * df['CCSDTAF12-CP-hill1_aq5z']['A24-9'], digits, 'CCSDTAF12-CP-hill1_aq5z')
            qcdb.compare_values(-4.5800, h2kc * df['CCSDTAF12-CP-hill1_dtzf12']['A24-9'], digits, 'CCSDTAF12-CP-hill1_dtzf12')
            qcdb.compare_values(-4.5854, h2kc * df['CCSDTAF12-CP-hill1_tqzf12']['A24-9'], digits, 'CCSDTAF12-CP-hill1_tqzf12')
            qcdb.compare_values(-4.5965, h2kc * df['CCSDTBF12-CP-hill1_adtz']['A24-9'], digits, 'CCSDTBF12-CP-hill1_adtz')
            qcdb.compare_values(-4.5541, h2kc * df['CCSDTBF12-CP-hill1_atqz']['A24-9'], digits, 'CCSDTBF12-CP-hill1_atqz')
            qcdb.compare_values(-4.5586, h2kc * df['CCSDTBF12-CP-hill1_aq5z']['A24-9'], digits, 'CCSDTBF12-CP-hill1_aq5z')
            qcdb.compare_values(-4.5476, h2kc * df['CCSDTBF12-CP-hill1_dtzf12']['A24-9'], digits, 'CCSDTBF12-CP-hill1_dtzf12')
            qcdb.compare_values(-4.5624, h2kc * df['CCSDTBF12-CP-hill1_tqzf12']['A24-9'], digits, 'CCSDTBF12-CP-hill1_tqzf12')
            qcdb.compare_values(-4.5867, h2kc * df['CCSDTCF12-CP-hill1_adtz']['A24-9'], digits, 'CCSDTCF12-CP-hill1_adtz')
            qcdb.compare_values(-4.5449, h2kc * df['CCSDTCF12-CP-hill1_atqz']['A24-9'], digits, 'CCSDTCF12-CP-hill1_atqz')
            qcdb.compare_values(-4.5400, h2kc * df['CCSDTCF12-CP-hill1_dtzf12']['A24-9'], digits, 'CCSDTCF12-CP-hill1_dtzf12')
            qcdb.compare_values(-4.5539, h2kc * df['CCSDTCF12-CP-hill1_tqzf12']['A24-9'], digits, 'CCSDTCF12-CP-hill1_tqzf12')
            qcdb.compare_values(-4.1343, h2kc * df['CCSDAF12-CP-atz']['A24-9'], digits, 'CCSDAF12-CP-atz')
            qcdb.compare_values(-4.1111, h2kc * df['CCSDAF12-CP-a5z']['A24-9'], digits, 'CCSDAF12-CP-a5z')
            qcdb.compare_values(-4.1183, h2kc * df['CCSDAF12-CP-aqz']['A24-9'], digits, 'CCSDAF12-CP-aqz')
            qcdb.compare_values(-4.5610, h2kc * df['CCSDTNSAF12-CP-atz']['A24-9'], digits, 'CCSDTNSAF12-CP-atz')
            qcdb.compare_values(-4.4933, h2kc * df['CCSDTNSBF12-CP-atz']['A24-9'], digits, 'CCSDTNSBF12-CP-atz')
            qcdb.compare_values(-4.5892, h2kc * df['CCSDTNSBF12-CP-hill2_adtz']['A24-9'], digits, 'CCSDTNSBF12-CP-hill2_adtz')

        elif project == 'dilabio':
            print("""\n        Checks from dilabio project:\n""")
            digits = 4

            qcdb.compare_values(-4.4367, h2kc * df['CCSD-CP-a56z']['A24-4'], digits, 'CCSD-CP-a56z')
            qcdb.compare_values(-4.3994, h2kc * df['CCSD-CP-a5z']['A24-4'], digits, 'CCSD-CP-a5z')
            qcdb.compare_values(-4.4157, h2kc * df['CCSD-CP-a6z']['A24-4'], digits, 'CCSD-CP-a6z')
            qcdb.compare_values(-4.2873, h2kc * df['CCSD-CP-adtz']['A24-4'], digits, 'CCSD-CP-adtz')
            qcdb.compare_values(-3.8727, h2kc * df['CCSD-CP-adz']['A24-4'], digits, 'CCSD-CP-adz')
            qcdb.compare_values(-4.4372, h2kc * df['CCSD-CP-aq5z']['A24-4'], digits, 'CCSD-CP-aq5z')
            qcdb.compare_values(-4.3586, h2kc * df['CCSD-CP-aqz']['A24-4'], digits, 'CCSD-CP-aqz')
            qcdb.compare_values(-4.4495, h2kc * df['CCSD-CP-atqz']['A24-4'], digits, 'CCSD-CP-atqz')
            qcdb.compare_values(-4.1604, h2kc * df['CCSD-CP-atz']['A24-4'], digits, 'CCSD-CP-atz')
            qcdb.compare_values(-4.4246, h2kc * df['CCSD-unCP-a56z']['A24-4'], digits, 'CCSD-unCP-a56z')
            qcdb.compare_values(-4.5158, h2kc * df['CCSD-unCP-a5z']['A24-4'], digits, 'CCSD-unCP-a5z')
            qcdb.compare_values(-4.4739, h2kc * df['CCSD-unCP-a6z']['A24-4'], digits, 'CCSD-unCP-a6z')
            qcdb.compare_values(-4.7420, h2kc * df['CCSD-unCP-adtz']['A24-4'], digits, 'CCSD-unCP-adtz')
            qcdb.compare_values(-4.5568, h2kc * df['CCSD-unCP-adz']['A24-4'], digits, 'CCSD-unCP-adz')
            qcdb.compare_values(-4.4897, h2kc * df['CCSD-unCP-aq5z']['A24-4'], digits, 'CCSD-unCP-aq5z')
            qcdb.compare_values(-4.5825, h2kc * df['CCSD-unCP-aqz']['A24-4'], digits, 'CCSD-unCP-aqz')
            qcdb.compare_values(-4.5278, h2kc * df['CCSD-unCP-atqz']['A24-4'], digits, 'CCSD-unCP-atqz')
            qcdb.compare_values(-4.6469, h2kc * df['CCSD-unCP-atz']['A24-4'], digits, 'CCSD-unCP-atz')
            qcdb.compare_values(-4.5920, h2kc * df['CCSDT-CP-a56z']['A24-4'], digits, 'CCSDT-CP-a56z')
            qcdb.compare_values(-4.5521, h2kc * df['CCSDT-CP-a5z']['A24-4'], digits, 'CCSDT-CP-a5z')
            qcdb.compare_values(-4.5695, h2kc * df['CCSDT-CP-a6z']['A24-4'], digits, 'CCSDT-CP-a6z')
            qcdb.compare_values(-4.4422, h2kc * df['CCSDT-CP-adtz']['A24-4'], digits, 'CCSDT-CP-adtz')
            qcdb.compare_values(-3.9771, h2kc * df['CCSDT-CP-adz']['A24-4'], digits, 'CCSDT-CP-adz')
            qcdb.compare_values(-4.5928, h2kc * df['CCSDT-CP-aq5z']['A24-4'], digits, 'CCSDT-CP-aq5z')
            qcdb.compare_values(-4.5086, h2kc * df['CCSDT-CP-aqz']['A24-4'], digits, 'CCSDT-CP-aqz')
            qcdb.compare_values(-4.6067, h2kc * df['CCSDT-CP-atqz']['A24-4'], digits, 'CCSDT-CP-atqz')
            qcdb.compare_values(-4.3004, h2kc * df['CCSDT-CP-atz']['A24-4'], digits, 'CCSDT-CP-atz')
            qcdb.compare_values(-4.5785, h2kc * df['CCSDT-unCP-a56z']['A24-4'], digits, 'CCSDT-unCP-a56z')
            qcdb.compare_values(-4.6756, h2kc * df['CCSDT-unCP-a5z']['A24-4'], digits, 'CCSDT-unCP-a5z')
            qcdb.compare_values(-4.6312, h2kc * df['CCSDT-unCP-a6z']['A24-4'], digits, 'CCSDT-unCP-a6z')
            qcdb.compare_values(-4.8890, h2kc * df['CCSDT-unCP-adtz']['A24-4'], digits, 'CCSDT-unCP-adtz')
            qcdb.compare_values(-4.7587, h2kc * df['CCSDT-unCP-adz']['A24-4'], digits, 'CCSDT-unCP-adz')
            qcdb.compare_values(-4.6504, h2kc * df['CCSDT-unCP-aq5z']['A24-4'], digits, 'CCSDT-unCP-aq5z')
            qcdb.compare_values(-4.7415, h2kc * df['CCSDT-unCP-aqz']['A24-4'], digits, 'CCSDT-unCP-aqz')
            qcdb.compare_values(-4.6836, h2kc * df['CCSDT-unCP-atqz']['A24-4'], digits, 'CCSDT-unCP-atqz')
            qcdb.compare_values(-4.8102, h2kc * df['CCSDT-unCP-atz']['A24-4'], digits, 'CCSDT-unCP-atz')
            qcdb.compare_values(-4.4767, h2kc * df['MP2-CP-a56z']['A24-4'], digits, 'MP2-CP-a56z')
            qcdb.compare_values(-4.4282, h2kc * df['MP2-CP-a5z']['A24-4'], digits, 'MP2-CP-a5z')
            qcdb.compare_values(-4.4492, h2kc * df['MP2-CP-a6z']['A24-4'], digits, 'MP2-CP-a6z')
            qcdb.compare_values(-4.3078, h2kc * df['MP2-CP-adtz']['A24-4'], digits, 'MP2-CP-adtz')
            qcdb.compare_values(-3.9377, h2kc * df['MP2-CP-adz']['A24-4'], digits, 'MP2-CP-adz')
            qcdb.compare_values(-4.4721, h2kc * df['MP2-CP-aq5z']['A24-4'], digits, 'MP2-CP-aq5z')
            qcdb.compare_values(-4.3816, h2kc * df['MP2-CP-aqz']['A24-4'], digits, 'MP2-CP-aqz')
            qcdb.compare_values(-4.4646, h2kc * df['MP2-CP-atqz']['A24-4'], digits, 'MP2-CP-atqz')
            qcdb.compare_values(-4.1941, h2kc * df['MP2-CP-atz']['A24-4'], digits, 'MP2-CP-atz')
            qcdb.compare_values(-4.4833, h2kc * df['MP2-unCP-a56z']['A24-4'], digits, 'MP2-unCP-a56z')
            qcdb.compare_values(-4.5891, h2kc * df['MP2-unCP-a5z']['A24-4'], digits, 'MP2-unCP-a5z')
            qcdb.compare_values(-4.5411, h2kc * df['MP2-unCP-a6z']['A24-4'], digits, 'MP2-unCP-a6z')
            qcdb.compare_values(-4.7573, h2kc * df['MP2-unCP-adtz']['A24-4'], digits, 'MP2-unCP-adtz')
            qcdb.compare_values(-4.6150, h2kc * df['MP2-unCP-adz']['A24-4'], digits, 'MP2-unCP-adz')
            qcdb.compare_values(-4.5823, h2kc * df['MP2-unCP-aq5z']['A24-4'], digits, 'MP2-unCP-aq5z')
            qcdb.compare_values(-4.6374, h2kc * df['MP2-unCP-aqz']['A24-4'], digits, 'MP2-unCP-aqz')
            qcdb.compare_values(-4.6023, h2kc * df['MP2-unCP-atqz']['A24-4'], digits, 'MP2-unCP-atqz')
            qcdb.compare_values(-4.6749, h2kc * df['MP2-unCP-atz']['A24-4'], digits, 'MP2-unCP-atz')
            qcdb.compare_values(-3.8207, h2kc * df['HF-CP-a5z']['A24-4'], digits, 'HF-CP-a5z')
            qcdb.compare_values(-3.8217, h2kc * df['HF-CP-a6z']['A24-4'], digits, 'HF-CP-a6z')
            qcdb.compare_values(-3.7558, h2kc * df['HF-CP-adz']['A24-4'], digits, 'HF-CP-adz')
            qcdb.compare_values(-3.8160, h2kc * df['HF-CP-aqz']['A24-4'], digits, 'HF-CP-aqz')
            qcdb.compare_values(-3.7422, h2kc * df['HF-CP-atz']['A24-4'], digits, 'HF-CP-atz')
            qcdb.compare_values(-3.8286, h2kc * df['HF-unCP-a5z']['A24-4'], digits, 'HF-unCP-a5z')
            qcdb.compare_values(-3.8226, h2kc * df['HF-unCP-a6z']['A24-4'], digits, 'HF-unCP-a6z')
            qcdb.compare_values(-3.9955, h2kc * df['HF-unCP-adz']['A24-4'], digits, 'HF-unCP-adz')
            qcdb.compare_values(-3.8704, h2kc * df['HF-unCP-aqz']['A24-4'], digits, 'HF-unCP-aqz')
            qcdb.compare_values(-3.8598, h2kc * df['HF-unCP-atz']['A24-4'], digits, 'HF-unCP-atz')

            #qcdb.compare_values(-0.0394, h2kc * df['CCSDT-CP-adz']['A24-4'], digits, 'CCSDT-CP-adz')  # TODO this is delta_MP2^CCSD(T)
            #qcdb.compare_values(-0.1062, h2kc * df['CCSDT-CP-atz']['A24-4'], digits, 'CCSDT-CP-atz')  # TODO this is delta_MP2^CCSD(T)
            qcdb.compare_values(-4.5040, h2kc * df['CCSDT-CP-atqzadz']['A24-4'], digits, 'CCSDT-CP-atqzadz')
            qcdb.compare_values(-4.5708, h2kc * df['CCSDT-CP-atqzatz']['A24-4'], digits, 'CCSDT-CP-atqzatz')
            qcdb.compare_values(-4.5115, h2kc * df['CCSDT-CP-aq5zadz']['A24-4'], digits, 'CCSDT-CP-aq5zadz')
            qcdb.compare_values(-4.5783, h2kc * df['CCSDT-CP-aq5zatz']['A24-4'], digits, 'CCSDT-CP-aq5zatz')

            #qcdb.compare_values(-0.0915, h2kc * df['CCSDT-ave-adz']['A24-4'], digits, 'CCSDT-ave-adz')  # TODO this is delta_MP2^CCSD(T)
            #qcdb.compare_values(-0.1208, h2kc * df['CCSDT-ave-atz']['A24-4'], digits, 'CCSDT-ave-atz')  # TODO this is delta_MP2^CCSD(T)
            qcdb.compare_values(-4.5335, h2kc * df['MP2-ave-atqz']['A24-4'], digits, 'MP2-ave-atqz')
            qcdb.compare_values(-4.5272, h2kc * df['MP2-ave-aq5z']['A24-4'], digits, 'MP2-ave-aq5z')
            qcdb.compare_values(-4.6250, h2kc * df['CCSDT-ave-atqzadz']['A24-4'], digits, 'CCSDT-ave-atqzadz')
            qcdb.compare_values(-4.6542, h2kc * df['CCSDT-ave-atqzatz']['A24-4'], digits, 'CCSDT-ave-atqzatz')
            qcdb.compare_values(-4.6187, h2kc * df['CCSDT-ave-aq5zadz']['A24-4'], digits, 'CCSDT-ave-aq5zadz')
            qcdb.compare_values(-4.6480, h2kc * df['CCSDT-ave-aq5zatz']['A24-4'], digits, 'CCSDT-ave-aq5zatz')

        elif project == 'pt2':
            print("""\n        Checks from pt2 project:\n""")
            digits = 4

            # HF
            qcdb.compare_values(-3.5684, h2kc * df['HF-CP-adz'              ]['S22-2'], digits, 'HF-CP-adz')
            qcdb.compare_values(-3.5488, h2kc * df['HF-CP-atz'              ]['S22-2'], digits, 'HF-CP-atz')
            qcdb.compare_values(-3.5853, h2kc * df['HF-dfhf-CP-aqz'              ]['S22-2'], digits, 'HF-CP-aqz')
            qcdb.compare_values(-3.5848, h2kc * df['HF-dfhf-CP-a5z'              ]['S22-2'], digits, 'HF-CP-a5z')

            # MP2
            qcdb.compare_values(-4.3658, h2kc * df['MP2-CP-adz'             ]['S22-2'], digits, 'MP2-CP-adz')
            qcdb.compare_values(-4.6875, h2kc * df['MP2-CP-atz'             ]['S22-2'], digits, 'MP2-CP-atz')
            #qcdb.compare_values(-4.8559, h2kc * df['MP2-dfhf-dfmp-CP-aqz'             ]['S22-2'], digits, 'MP2-CP-aqz')
            qcdb.compare_values(-4.9039, h2kc * df['MP2-dfhf-dfmp-CP-a5z'             ]['S22-2'], digits, 'MP2-CP-a5z')
            qcdb.compare_values(-4.8312, h2kc * df['MP2-CP-adtz'            ]['S22-2'], digits, 'MP2-CP-adtz')
            #qcdb.compare_values(-4.9521, h2kc * df['MP2-dfhf-dfmp-CP-atqz'            ]['S22-2'], digits, 'MP2-CP-atqz')
            #qcdb.compare_values(-4.9549, h2kc * df['MP2-dfhf-dfmp-CP-aq5z'            ]['S22-2'], digits, 'MP2-CP-aq5z')

            # SCS-MP2
            qcdb.compare_values(-3.9295, h2kc * df['SCSMP2-CP-adz'          ]['S22-2'], digits, 'SCSMP2-CP-adz')
            qcdb.compare_values(-4.2156, h2kc * df['SCSMP2-CP-atz'          ]['S22-2'], digits, 'SCSMP2-CP-atz')
            #qcdb.compare_values(-4.3884, h2kc * df['SCSMP2-dfhf-dfmp-CP-aqz'          ]['S22-2'], digits, 'SCSMP2-CP-aqz')
            qcdb.compare_values(-4.4401, h2kc * df['SCSMP2-dfhf-dfmp-CP-a5z'          ]['S22-2'], digits, 'SCSMP2-CP-a5z')
            qcdb.compare_values(-4.3444, h2kc * df['SCSMP2-CP-adtz'         ]['S22-2'], digits, 'SCSMP2-CP-adtz')
            #qcdb.compare_values(-4.4878, h2kc * df['SCSMP2-dfhf-dfmp-CP-atqz'         ]['S22-2'], digits, 'SCSMP2-CP-atqz')
            #qcdb.compare_values(-4.4950, h2kc * df['SCSMP2-dfhf-dfmp-CP-aq5z'         ]['S22-2'], digits, 'SCSMP2-CP-aq5z')

            # SCS(N)-MP2
            qcdb.compare_values(-4.7784, h2kc * df['SCSNMP2-CP-adz'         ]['S22-2'], digits, 'SCSNMP2-CP-adz')
            qcdb.compare_values(-4.9695, h2kc * df['SCSNMP2-CP-atz'         ]['S22-2'], digits, 'SCSNMP2-CP-atz')
            #qcdb.compare_values(-5.0507, h2kc * df['SCSNMP2-CP-aqz'         ]['S22-2'], digits, 'SCSNMP2-CP-aqz')
            qcdb.compare_values(-5.0624, h2kc * df['SCSNMP2-dfhf-dfmp-CP-a5z'         ]['S22-2'], digits, 'SCSNMP2-CP-a5z')
            qcdb.compare_values(-5.0583, h2kc * df['SCSNMP2-CP-adtz'        ]['S22-2'], digits, 'SCSNMP2-CP-adtz')
            #qcdb.compare_values(-5.0833, h2kc * df['SCSNMP2-CP-atqz'        ]['S22-2'], digits, 'SCSNMP2-CP-atqz')
            #qcdb.compare_values(-5.0752, h2kc * df['SCSNMP2-CP-aq5z'        ]['S22-2'], digits, 'SCSNMP2-CP-aq5z')

            # SCS(MI)-MP2
            qcdb.compare_values(-5.0178, h2kc * df['SCSMIMP2-CP-atz'        ]['S22-2'], digits, 'SCSMIMP2-CP-atz')
            #qcdb.compare_values(-4.9367, h2kc * df['SCSMIMP2-CP-aqz'        ]['S22-2'], digits, 'SCSMIMP2-CP-aqz')
            qcdb.compare_values(-4.9242, h2kc * df['SCSMIMP2-CP-adtz'       ]['S22-2'], digits, 'SCSMIMP2-CP-adtz')
            #qcdb.compare_values(-4.8895, h2kc * df['SCSMIMP2-CP-atqz'       ]['S22-2'], digits, 'SCSMIMP2-CP-atqz')

            # DW-MP2
            qcdb.compare_values(-4.3519, h2kc * df['DWMP2-CP-adz'           ]['S22-2'], digits, 'DWMP2-CP-adz')
            qcdb.compare_values(-4.6687, h2kc * df['DWMP2-CP-atz'           ]['S22-2'], digits, 'DWMP2-CP-atz')
            #qcdb.compare_values(-4.8359, h2kc * df['DWMP2-CP-aqz'           ]['S22-2'], digits, 'DWMP2-CP-aqz')
            qcdb.compare_values(-4.8836, h2kc * df['DWMP2-dfhf-dfmp-CP-a5z'           ]['S22-2'], digits, 'DWMP2-CP-a5z')
            qcdb.compare_values(-4.8104, h2kc * df['DWMP2-CP-adtz'          ]['S22-2'], digits, 'DWMP2-CP-adtz')
            #qcdb.compare_values(-4.9313, h2kc * df['DWMP2-CP-atqz'          ]['S22-2'], digits, 'DWMP2-CP-atqz')
            #qcdb.compare_values(-4.9341, h2kc * df['DWMP2-CP-aq5z'          ]['S22-2'], digits, 'DWMP2-CP-aq5z')

            # MP2C
            qcdb.compare_values(-4.3943, h2kc * df['MP2C-SA-adz'            ]['S22-2'], digits, 'MP2C-SA-adz')
            qcdb.compare_values(-4.7857, h2kc * df['MP2C-SA-atz'            ]['S22-2'], digits, 'MP2C-SA-atz')
            #qcdb.compare_values(-4.9741, h2kc * df['MP2C-dfhf-dfmp-SA-aqz'            ]['S22-2'], digits, 'MP2C-SA-aqz')
            qcdb.compare_values(-4.9588, h2kc * df['MP2C-SA-adtz'           ]['S22-2'], digits, 'MP2C-SA-adtz')
            #qcdb.compare_values(-5.0850, h2kc * df['MP2C-SA-atqz'           ]['S22-2'], digits, 'MP2C-SA-atqz')
            qcdb.compare_values(-4.8597, h2kc * df['MP2C-SA-adtzadz'        ]['S22-2'], digits, 'MP2C-SA-adtzadz')
            qcdb.compare_values(-4.7160, h2kc * df['MP2C-SA-atzadz'         ]['S22-2'], digits, 'MP2C-SA-atzadz')
            #qcdb.compare_values(-4.9806, h2kc * df['MP2C-SA-atqzadz'        ]['S22-2'], digits, 'MP2C-SA-atqzadz')
            #qcdb.compare_values(-4.9834, h2kc * df['MP2C-SA-aq5zadz'        ]['S22-2'], digits, 'MP2C-SA-aq5zadz')
            #qcdb.compare_values(-5.0503, h2kc * df['MP2C-SA-atqzatz'        ]['S22-2'], digits, 'MP2C-SA-atqzatz')
            #qcdb.compare_values(-5.0531, h2kc * df['MP2C-SA-aq5zatz'        ]['S22-2'], digits, 'MP2C-SA-aq5zatz')
            qcdb.compare_values(-4.8151, h2kc * df['MP2C-SA-atzadtz'        ]['S22-2'], digits, 'MP2C-SA-atzadtz')
            #qcdb.compare_values(-5.0797, h2kc * df['MP2C-SA-atqzadtz'       ]['S22-2'], digits, 'MP2C-SA-atqzadtz')
            #qcdb.compare_values(-5.0825, h2kc * df['MP2C-SA-aq5zadtz'       ]['S22-2'], digits, 'MP2C-SA-aq5zadtz')

            # MP3
            qcdb.compare_values(-4.3038, h2kc * df['MP3-CP-adz'             ]['S22-2'], digits, 'MP3-CP-adz')
            qcdb.compare_values(-4.6255, h2kc * df['MP3-CP-atzadz'          ]['S22-2'], digits, 'MP3-CP-atzadz')
            qcdb.compare_values(-4.7692, h2kc * df['MP3-CP-adtzadz'         ]['S22-2'], digits, 'MP3-CP-adtzadz')
            #qcdb.compare_values(-4.8901, h2kc * df['MP3-CP-atqzadz'         ]['S22-2'], digits, 'MP3-CP-atqzadz')
            qcdb.compare_values(-4.6753, h2kc * df['MP3-CP-atz'             ]['S22-2'], digits, 'MP3-CP-atz')
            #qcdb.compare_values(-4.9399, h2kc * df['MP3-CP-atqzatz'         ]['S22-2'], digits, 'MP3-CP-atqzatz')
            qcdb.compare_values(-4.8400, h2kc * df['MP3-CP-adtz'            ]['S22-2'], digits, 'MP3-CP-adtz')
            qcdb.compare_values(-4.6963, h2kc * df['MP3-CP-atzadtz'         ]['S22-2'], digits, 'MP3-CP-atzadtz')
            #qcdb.compare_values(-4.9609, h2kc * df['MP3-CP-atqzadtz'        ]['S22-2'], digits, 'MP3-CP-atqzadtz')

            # MP2.5
            qcdb.compare_values(-4.3348, h2kc * df['MP25-CP-adz'            ]['S22-2'], digits, 'MP25-CP-adz')
            qcdb.compare_values(-4.6565, h2kc * df['MP25-CP-atzadz'         ]['S22-2'], digits, 'MP25-CP-atzadz')
            qcdb.compare_values(-4.8002, h2kc * df['MP25-CP-adtzadz'        ]['S22-2'], digits, 'MP25-CP-adtzadz')
            #qcdb.compare_values(-4.9211, h2kc * df['MP25-CP-atqzadz'        ]['S22-2'], digits, 'MP25-CP-atqzadz')
            qcdb.compare_values(-4.6814, h2kc * df['MP25-CP-atz'            ]['S22-2'], digits, 'MP25-CP-atz')
            #qcdb.compare_values(-4.9460, h2kc * df['MP25-CP-atqzatz'        ]['S22-2'], digits, 'MP25-CP-atqzatz')
            qcdb.compare_values(-4.8356, h2kc * df['MP25-CP-adtz'           ]['S22-2'], digits, 'MP25-CP-adtz')
            qcdb.compare_values(-4.6919, h2kc * df['MP25-CP-atzadtz'        ]['S22-2'], digits, 'MP25-CP-atzadtz')
            #qcdb.compare_values(-4.9565, h2kc * df['MP25-CP-atqzadtz'       ]['S22-2'], digits, 'MP25-CP-atqzadtz')

            # HF-CABS
            qcdb.compare_values(-3.5871, h2kc * df['HFCABS-CP-adz'          ]['S22-2'], digits, 'HFCABS-CP-adz')
            qcdb.compare_values(-3.5829, h2kc * df['HFCABS-dfhf-CP-atz'          ]['S22-2'], digits, 'HFCABS-CP-atz')
            qcdb.compare_values(-3.5850, h2kc * df['HFCABS-dfhf-CP-aqz'          ]['S22-2'], digits, 'HFCABS-CP-aqz')

            # MP2-F12
            qcdb.compare_values(-4.9190, h2kc * df['MP2F12-CP-adz'          ]['S22-2'], digits, 'MP2F12-CP-adz')
            qcdb.compare_values(-4.9529, h2kc * df['MP2F12-dfhf-dfmp-CP-atz'          ]['S22-2'], digits, 'MP2F12-CP-atz')
            qcdb.compare_values(-4.9582, h2kc * df['MP2F12-dfhf-dfmp-CP-aqz'          ]['S22-2'], digits, 'MP2F12-CP-aqz')
            qcdb.compare_values(-4.9690, h2kc * df['MP2F12-dfhf-dfmp-CP-adtz'         ]['S22-2'], digits, 'MP2F12-CP-adtz')
            qcdb.compare_values(-4.9605, h2kc * df['MP2F12-dfhf-dfmp-CP-atqz'         ]['S22-2'], digits, 'MP2F12-CP-atqz')

            # SCS-MP2-F12
            qcdb.compare_values(-4.4638, h2kc * df['SCSMP2F12-CP-adz'       ]['S22-2'], digits, 'SCSMP2F12-CP-adz')
            qcdb.compare_values(-4.4978, h2kc * df['SCSMP2F12-dfhf-dfmp-CP-atz'       ]['S22-2'], digits, 'SCSMP2F12-CP-atz')
            qcdb.compare_values(-4.5023, h2kc * df['SCSMP2F12-dfhf-dfmp-CP-aqz'       ]['S22-2'], digits, 'SCSMP2F12-CP-aqz')
            qcdb.compare_values(-4.5139, h2kc * df['SCSMP2F12-dfhf-dfmp-CP-adtz'      ]['S22-2'], digits, 'SCSMP2F12-CP-adtz')
            qcdb.compare_values(-4.5042, h2kc * df['SCSMP2F12-dfhf-dfmp-CP-atqz'      ]['S22-2'], digits, 'SCSMP2F12-CP-atqz')

            # SCS(N)-MP2-F12
            qcdb.compare_values(-5.0526, h2kc * df['SCSNMP2F12-CP-adz'      ]['S22-2'], digits, 'SCSNMP2F12-CP-adz')
            qcdb.compare_values(-5.0636, h2kc * df['SCSNMP2F12-dfhf-dfmp-CP-atz'      ]['S22-2'], digits, 'SCSNMP2F12-CP-atz')
            qcdb.compare_values(-5.0684, h2kc * df['SCSNMP2F12-dfhf-dfmp-CP-aqz'      ]['S22-2'], digits, 'SCSNMP2F12-CP-aqz')
            qcdb.compare_values(-5.0699, h2kc * df['SCSNMP2F12-dfhf-dfmp-CP-adtz'     ]['S22-2'], digits, 'SCSNMP2F12-CP-adtz')
            qcdb.compare_values(-5.0704, h2kc * df['SCSNMP2F12-dfhf-dfmp-CP-atqz'     ]['S22-2'], digits, 'SCSNMP2F12-CP-atqz')

            # SCS(MI)-MP2-F12
            qcdb.compare_values(-5.1450, h2kc * df['SCSMIMP2F12-dfhf-dfmp-CP-atz'     ]['S22-2'], digits, 'SCSMIMP2F12-CP-atz')
            qcdb.compare_values(-4.9799, h2kc * df['SCSMIMP2F12-dfhf-dfmp-CP-aqz'     ]['S22-2'], digits, 'SCSMIMP2F12-CP-aqz')
            qcdb.compare_values(-4.9734, h2kc * df['SCSMIMP2F12-dfhf-dfmp-CP-adtz'    ]['S22-2'], digits, 'SCSMIMP2F12-CP-adtz')
            qcdb.compare_values(-4.8864, h2kc * df['SCSMIMP2F12-dfhf-dfmp-CP-atqz'    ]['S22-2'], digits, 'SCSMIMP2F12-CP-atqz')

            # DW-MP2-F12
            qcdb.compare_values(-4.8989, h2kc * df['DWMP2F12-CP-adz'        ]['S22-2'], digits, 'DWMP2F12-CP-adz')
            qcdb.compare_values(-4.9324, h2kc * df['DWMP2F12-dfhf-dfmp-CP-atz'        ]['S22-2'], digits, 'DWMP2F12-CP-atz')
            qcdb.compare_values(-4.9376, h2kc * df['DWMP2F12-dfhf-dfmp-CP-aqz'        ]['S22-2'], digits, 'DWMP2F12-CP-aqz')
            qcdb.compare_values(-4.9483, h2kc * df['DWMP2F12-dfhf-dfmp-CP-adtz'       ]['S22-2'], digits, 'DWMP2F12-CP-adtz')
            qcdb.compare_values(-4.9399, h2kc * df['DWMP2F12-dfhf-dfmp-CP-atqz'       ]['S22-2'], digits, 'DWMP2F12-CP-atqz')

            # MP2C-F12
            qcdb.compare_values(-4.9475, h2kc * df['MP2CF12-SA-adz'         ]['S22-2'], digits, 'MP2CF12-SA-adz')
            qcdb.compare_values(-5.0511, h2kc * df['MP2CF12-dfhf-dfmp-SA-atz'         ]['S22-2'], digits, 'MP2CF12-SA-atz')
            qcdb.compare_values(-5.0764, h2kc * df['MP2CF12-dfhf-dfmp-SA-aqz'         ]['S22-2'], digits, 'MP2CF12-SA-aqz')
            qcdb.compare_values(-5.0965, h2kc * df['MP2CF12-dfhf-dfmp-SA-adtz'        ]['S22-2'], digits, 'MP2CF12-SA-adtz')
            qcdb.compare_values(-5.0934, h2kc * df['MP2CF12-dfhf-dfmp-SA-atqz'        ]['S22-2'], digits, 'MP2CF12-SA-atqz')
            qcdb.compare_values(-4.9814, h2kc * df['MP2CF12-dfhf-dfmp-SA-atzadz'      ]['S22-2'], digits, 'MP2CF12-SA-atzadz')
            qcdb.compare_values(-4.9975, h2kc * df['MP2CF12-dfhf-dfmp-SA-adtzadz'     ]['S22-2'], digits, 'MP2CF12-SA-adtzadz')
            qcdb.compare_values(-4.9890, h2kc * df['MP2CF12-dfhf-dfmp-SA-atqzadz'     ]['S22-2'], digits, 'MP2CF12-SA-atqzadz')
            qcdb.compare_values(-5.0587, h2kc * df['MP2CF12-dfhf-dfmp-SA-atqzatz'     ]['S22-2'], digits, 'MP2CF12-SA-atqzatz')
            qcdb.compare_values(-5.0805, h2kc * df['MP2CF12-dfhf-dfmp-SA-atzadtz'     ]['S22-2'], digits, 'MP2CF12-SA-atzadtz')
            qcdb.compare_values(-5.0881, h2kc * df['MP2CF12-dfhf-dfmp-SA-atqzadtz'    ]['S22-2'], digits, 'MP2CF12-SA-atqzadtz')

            # CCSD-F12a/b
            qcdb.compare_values(-4.7000, h2kc * df['CCSDAF12-CP-adz'        ]['S22-2'], digits, 'CCSDAF12-CP-adz')
            qcdb.compare_values(-4.6379, h2kc * df['CCSDBF12-CP-adz'        ]['S22-2'], digits, 'CCSDBF12-CP-adz')
            qcdb.compare_values(-4.7339, h2kc * df['CCSDAF12-dfhf-dfmp-CP-atzadz'     ]['S22-2'], digits, 'CCSDAF12-CP-atzadz')
            qcdb.compare_values(-4.6718, h2kc * df['CCSDBF12-dfhf-dfmp-CP-atzadz'     ]['S22-2'], digits, 'CCSDBF12-CP-atzadz')
            qcdb.compare_values(-4.7499, h2kc * df['CCSDAF12-dfhf-dfmp-CP-adtzadz'    ]['S22-2'], digits, 'CCSDAF12-CP-adtzadz')
            qcdb.compare_values(-4.6879, h2kc * df['CCSDBF12-dfhf-dfmp-CP-adtzadz'    ]['S22-2'], digits, 'CCSDBF12-CP-adtzadz')
            qcdb.compare_values(-4.7415, h2kc * df['CCSDAF12-dfhf-dfmp-CP-atqzadz'    ]['S22-2'], digits, 'CCSDAF12-CP-atqzadz')
            qcdb.compare_values(-4.6795, h2kc * df['CCSDBF12-dfhf-dfmp-CP-atqzadz'    ]['S22-2'], digits, 'CCSDBF12-CP-atqzadz')

            # SCS-CCSD-F12a/b
            qcdb.compare_values(-4.8725, h2kc * df['SCSCCSDAF12-CP-adz'     ]['S22-2'], digits, 'SCSCCSDAF12-CP-adz')
            qcdb.compare_values(-4.7961, h2kc * df['SCSCCSDBF12-CP-adz'     ]['S22-2'], digits, 'SCSCCSDBF12-CP-adz')
            qcdb.compare_values(-4.9065, h2kc * df['SCSCCSDAF12-dfhf-dfmp-CP-atzadz'  ]['S22-2'], digits, 'SCSCCSDAF12-CP-atzadz')
            qcdb.compare_values(-4.8300, h2kc * df['SCSCCSDBF12-dfhf-dfmp-CP-atzadz'  ]['S22-2'], digits, 'SCSCCSDBF12-CP-atzadz')
            qcdb.compare_values(-4.9225, h2kc * df['SCSCCSDAF12-dfhf-dfmp-CP-adtzadz' ]['S22-2'], digits, 'SCSCCSDAF12-CP-adtzadz')
            qcdb.compare_values(-4.8460, h2kc * df['SCSCCSDBF12-dfhf-dfmp-CP-adtzadz' ]['S22-2'], digits, 'SCSCCSDBF12-CP-adtzadz')
            qcdb.compare_values(-4.9141, h2kc * df['SCSCCSDAF12-dfhf-dfmp-CP-atqzadz' ]['S22-2'], digits, 'SCSCCSDAF12-CP-atqzadz')
            qcdb.compare_values(-4.8376, h2kc * df['SCSCCSDBF12-dfhf-dfmp-CP-atqzadz' ]['S22-2'], digits, 'SCSCCSDBF12-CP-atqzadz')

            # SCS(MI)-CCSD-F12a/b
            qcdb.compare_values(-4.9776, h2kc * df['SCMICCSDAF12-CP-adz'    ]['S22-2'], digits, 'SCMICCSDAF12-CP-adz')
            qcdb.compare_values(-4.9060, h2kc * df['SCMICCSDBF12-CP-adz'    ]['S22-2'], digits, 'SCMICCSDBF12-CP-adz')
            qcdb.compare_values(-5.0115, h2kc * df['SCMICCSDAF12-dfhf-dfmp-CP-atzadz' ]['S22-2'], digits, 'SCMICCSDAF12-CP-atzadz')
            qcdb.compare_values(-4.9399, h2kc * df['SCMICCSDBF12-dfhf-dfmp-CP-atzadz' ]['S22-2'], digits, 'SCMICCSDBF12-CP-atzadz')
            qcdb.compare_values(-5.0276, h2kc * df['SCMICCSDAF12-dfhf-dfmp-CP-adtzadz']['S22-2'], digits, 'SCMICCSDAF12-CP-adtzadz')
            qcdb.compare_values(-4.9560, h2kc * df['SCMICCSDBF12-dfhf-dfmp-CP-adtzadz']['S22-2'], digits, 'SCMICCSDBF12-CP-adtzadz')
            qcdb.compare_values(-5.0192, h2kc * df['SCMICCSDAF12-dfhf-dfmp-CP-atqzadz']['S22-2'], digits, 'SCMICCSDAF12-CP-atqzadz')
            qcdb.compare_values(-4.9475, h2kc * df['SCMICCSDBF12-dfhf-dfmp-CP-atqzadz']['S22-2'], digits, 'SCMICCSDBF12-CP-atqzadz')

            # CCSD(T**)-F12a/b
            qcdb.compare_values(-4.9233, h2kc * df['CCSDTAF12-CP-adz'       ]['S22-2'], digits, 'CCSDTAF12-CP-adz')
            qcdb.compare_values(-4.8612, h2kc * df['CCSDTBF12-CP-adz'       ]['S22-2'], digits, 'CCSDTBF12-CP-adz')
            qcdb.compare_values(-4.9572, h2kc * df['CCSDTAF12-dfhf-dfmp-CP-atzadz'    ]['S22-2'], digits, 'CCSDTAF12-CP-atzadz')
            qcdb.compare_values(-4.8952, h2kc * df['CCSDTBF12-dfhf-dfmp-CP-atzadz'    ]['S22-2'], digits, 'CCSDTBF12-CP-atzadz')
            qcdb.compare_values(-4.9732, h2kc * df['CCSDTAF12-dfhf-dfmp-CP-adtzadz'   ]['S22-2'], digits, 'CCSDTAF12-CP-adtzadz')
            qcdb.compare_values(-4.9112, h2kc * df['CCSDTBF12-dfhf-dfmp-CP-adtzadz'   ]['S22-2'], digits, 'CCSDTBF12-CP-adtzadz')
            qcdb.compare_values(-4.9648, h2kc * df['CCSDTAF12-dfhf-dfmp-CP-atqzadz'   ]['S22-2'], digits, 'CCSDTAF12-CP-atqzadz')
            qcdb.compare_values(-4.9028, h2kc * df['CCSDTBF12-dfhf-dfmp-CP-atqzadz'   ]['S22-2'], digits, 'CCSDTBF12-CP-atqzadz')

            # DW-CCSD(T**)-F12
            qcdb.compare_values(-4.9219, h2kc * df['DWCCSDTF12-CP-adz'      ]['S22-2'], digits, 'DWCCSDTF12-CP-adz')
            qcdb.compare_values(-4.9559, h2kc * df['DWCCSDTF12-dfhf-dfmp-CP-atzadz'   ]['S22-2'], digits, 'DWCCSDTF12-CP-atzadz')
            qcdb.compare_values(-4.9719, h2kc * df['DWCCSDTF12-dfhf-dfmp-CP-adtzadz'  ]['S22-2'], digits, 'DWCCSDTF12-CP-adtzadz')
            qcdb.compare_values(-4.9635, h2kc * df['DWCCSDTF12-dfhf-dfmp-CP-atqzadz'  ]['S22-2'], digits, 'DWCCSDTF12-CP-atqzadz')

            # CCSD(T)-F12 & CCSD(T*)-F12
            qcdb.compare_values(-4.8675, h2kc * df['CCSDTNSAF12-CP-adz'     ]['S22-2'], digits, 'CCSDTNSAF12-CP-adz')
            qcdb.compare_values(-4.8055, h2kc * df['CCSDTNSBF12-CP-adz'     ]['S22-2'], digits, 'CCSDTNSBF12-CP-adz')
            qcdb.compare_values(-4.9295, h2kc * df['CCSDTSAF12-CP-adz'      ]['S22-2'], digits, 'CCSDTSAF12-CP-adz')
            qcdb.compare_values(-4.8675, h2kc * df['CCSDTSBF12-CP-adz'      ]['S22-2'], digits, 'CCSDTSBF12-CP-adz')
            qcdb.compare_values(-4.8662, h2kc * df['DWCCSDTNSF12-CP-adz'    ]['S22-2'], digits, 'DWCCSDTNSF12-CP-adz')
            qcdb.compare_values(-4.9282, h2kc * df['DWCCSDTSF12-CP-adz'     ]['S22-2'], digits, 'DWCCSDTSF12-CP-adz')

            # HF calendar
            qcdb.compare_values(-3.6811, h2kc * df['HF-dfhf-CP-dz'               ]['S22-2'], digits, 'HF-CP-dz')
            qcdb.compare_values(-3.8125, h2kc * df['HF-dfhf-CP-jadz'             ]['S22-2'], digits, 'HF-CP-jadz')
            qcdb.compare_values(-3.6397, h2kc * df['HF-dfhf-CP-hadz'             ]['S22-2'], digits, 'HF-CP-hadz')
            qcdb.compare_values(-3.5551, h2kc * df['HF-dfhf-CP-tz'               ]['S22-2'], digits, 'HF-CP-tz')
            qcdb.compare_values(-3.5905, h2kc * df['HF-dfhf-CP-matz'             ]['S22-2'], digits, 'HF-CP-matz')
            qcdb.compare_values(-3.5527, h2kc * df['HF-dfhf-CP-jatz'             ]['S22-2'], digits, 'HF-CP-jatz')
            qcdb.compare_values(-3.5459, h2kc * df['HF-dfhf-CP-hatz'             ]['S22-2'], digits, 'HF-CP-hatz')
            qcdb.compare_values(-3.5772, h2kc * df['HF-dfhf-CP-qz'               ]['S22-2'], digits, 'HF-CP-qz')
            qcdb.compare_values(-3.5971, h2kc * df['HF-dfhf-CP-aaqz'             ]['S22-2'], digits, 'HF-CP-aaqz')
            qcdb.compare_values(-3.5801, h2kc * df['HF-dfhf-CP-maqz'             ]['S22-2'], digits, 'HF-CP-maqz')
            qcdb.compare_values(-3.5743, h2kc * df['HF-dfhf-CP-jaqz'             ]['S22-2'], digits, 'HF-CP-jaqz')
            qcdb.compare_values(-3.5761, h2kc * df['HF-dfhf-CP-haqz'             ]['S22-2'], digits, 'HF-CP-haqz')

            # MP2 calendar
            qcdb.compare_values(-3.9327, h2kc * df['MP2-dfhf-dfmp-CP-dz'              ]['S22-2'], digits, 'MP2-CP-dz')
            qcdb.compare_values(-4.1647, h2kc * df['MP2-dfhf-dfmp-CP-jadz'            ]['S22-2'], digits, 'MP2-CP-jadz')
            qcdb.compare_values(-4.4167, h2kc * df['MP2-dfhf-dfmp-CP-hadz'            ]['S22-2'], digits, 'MP2-CP-hadz')
            qcdb.compare_values(-4.4315, h2kc * df['MP2-dfhf-dfmp-CP-tz'              ]['S22-2'], digits, 'MP2-CP-tz')
            qcdb.compare_values(-4.5771, h2kc * df['MP2-dfhf-dfmp-CP-jatz'            ]['S22-2'], digits, 'MP2-CP-jatz')
            qcdb.compare_values(-4.5125, h2kc * df['MP2-dfhf-dfmp-CP-matz'            ]['S22-2'], digits, 'MP2-CP-matz')
            qcdb.compare_values(-4.6557, h2kc * df['MP2-dfhf-dfmp-CP-hatz'            ]['S22-2'], digits, 'MP2-CP-hatz')
            qcdb.compare_values(-4.7130, h2kc * df['MP2-dfhf-dfmp-CP-qz'              ]['S22-2'], digits, 'MP2-CP-qz')
            qcdb.compare_values(-4.7587, h2kc * df['MP2-dfhf-dfmp-CP-aaqz'            ]['S22-2'], digits, 'MP2-CP-aaqz')
            qcdb.compare_values(-4.7609, h2kc * df['MP2-dfhf-dfmp-CP-maqz'            ]['S22-2'], digits, 'MP2-CP-maqz')
            qcdb.compare_values(-4.7930, h2kc * df['MP2-dfhf-dfmp-CP-jaqz'            ]['S22-2'], digits, 'MP2-CP-jaqz')
            qcdb.compare_values(-4.8264, h2kc * df['MP2-dfhf-dfmp-CP-haqz'            ]['S22-2'], digits, 'MP2-CP-haqz')
            qcdb.compare_values(-4.6946, h2kc * df['MP2-dfhf-dfmp-CP-dtz'             ]['S22-2'], digits, 'MP2-CP-dtz')
            qcdb.compare_values(-4.8601, h2kc * df['MP2-dfhf-dfmp-CP-jadtz'           ]['S22-2'], digits, 'MP2-CP-jadtz')
            qcdb.compare_values(-4.7958, h2kc * df['MP2-dfhf-dfmp-CP-hadtz'           ]['S22-2'], digits, 'MP2-CP-hadtz')
            qcdb.compare_values(-4.9022, h2kc * df['MP2-dfhf-dfmp-CP-tqz'             ]['S22-2'], digits, 'MP2-CP-tqz')
            qcdb.compare_values(-4.9497, h2kc * df['MP2-dfhf-dfmp-CP-matqz'           ]['S22-2'], digits, 'MP2-CP-matqz')
            qcdb.compare_values(-4.9290, h2kc * df['MP2-dfhf-dfmp-CP-hatqz'           ]['S22-2'], digits, 'MP2-CP-hatqz')
            qcdb.compare_values(-4.9348, h2kc * df['MP2-dfhf-dfmp-CP-jatqz'           ]['S22-2'], digits, 'MP2-CP-jatqz')

            # SCS-MP2 calendar
            qcdb.compare_values(-3.5913, h2kc * df['SCSMP2-dfhf-dfmp-CP-dz'           ]['S22-2'], digits, 'SCSMP2-CP-dz')
            qcdb.compare_values(-3.8112, h2kc * df['SCSMP2-dfhf-dfmp-CP-jadz'         ]['S22-2'], digits, 'SCSMP2-CP-jadz')
            qcdb.compare_values(-3.9871, h2kc * df['SCSMP2-dfhf-dfmp-CP-hadz'         ]['S22-2'], digits, 'SCSMP2-CP-hadz')
            qcdb.compare_values(-3.9927, h2kc * df['SCSMP2-dfhf-dfmp-CP-tz'           ]['S22-2'], digits, 'SCSMP2-CP-tz')
            qcdb.compare_values(-4.0680, h2kc * df['SCSMP2-dfhf-dfmp-CP-matz'         ]['S22-2'], digits, 'SCSMP2-CP-matz')
            qcdb.compare_values(-4.1155, h2kc * df['SCSMP2-dfhf-dfmp-CP-jatz'         ]['S22-2'], digits, 'SCSMP2-CP-jatz')
            qcdb.compare_values(-4.1887, h2kc * df['SCSMP2-dfhf-dfmp-CP-hatz'         ]['S22-2'], digits, 'SCSMP2-CP-hatz')
            qcdb.compare_values(-4.2561, h2kc * df['SCSMP2-dfhf-dfmp-CP-qz'           ]['S22-2'], digits, 'SCSMP2-CP-qz')
            qcdb.compare_values(-4.2978, h2kc * df['SCSMP2-dfhf-dfmp-CP-aaqz'         ]['S22-2'], digits, 'SCSMP2-CP-aaqz')
            qcdb.compare_values(-4.2967, h2kc * df['SCSMP2-dfhf-dfmp-CP-maqz'         ]['S22-2'], digits, 'SCSMP2-CP-maqz')
            qcdb.compare_values(-4.3258, h2kc * df['SCSMP2-dfhf-dfmp-CP-jaqz'         ]['S22-2'], digits, 'SCSMP2-CP-jaqz')
            qcdb.compare_values(-4.3616, h2kc * df['SCSMP2-dfhf-dfmp-CP-haqz'         ]['S22-2'], digits, 'SCSMP2-CP-haqz')
            qcdb.compare_values(-4.2147, h2kc * df['SCSMP2-dfhf-dfmp-CP-dtz'          ]['S22-2'], digits, 'SCSMP2-CP-dtz')
            qcdb.compare_values(-4.3530, h2kc * df['SCSMP2-dfhf-dfmp-CP-jadtz'        ]['S22-2'], digits, 'SCSMP2-CP-jadtz')
            qcdb.compare_values(-4.3131, h2kc * df['SCSMP2-dfhf-dfmp-CP-hadtz'        ]['S22-2'], digits, 'SCSMP2-CP-hadtz')
            qcdb.compare_values(-4.4322, h2kc * df['SCSMP2-dfhf-dfmp-CP-tqz'          ]['S22-2'], digits, 'SCSMP2-CP-tqz')
            qcdb.compare_values(-4.4712, h2kc * df['SCSMP2-dfhf-dfmp-CP-matqz'        ]['S22-2'], digits, 'SCSMP2-CP-matqz')
            qcdb.compare_values(-4.4635, h2kc * df['SCSMP2-dfhf-dfmp-CP-jatqz'        ]['S22-2'], digits, 'SCSMP2-CP-jatqz')
            qcdb.compare_values(-4.4657, h2kc * df['SCSMP2-dfhf-dfmp-CP-hatqz'        ]['S22-2'], digits, 'SCSMP2-CP-hatqz')

            # SCS(N)-MP2 calendar
            qcdb.compare_values(-4.4764, h2kc * df['SCSNMP2-dfhf-dfmp-CP-dz'          ]['S22-2'], digits, 'SCSNMP2-CP-dz')
            qcdb.compare_values(-4.6734, h2kc * df['SCSNMP2-dfhf-dfmp-CP-jadz'        ]['S22-2'], digits, 'SCSNMP2-CP-jadz')
            qcdb.compare_values(-4.8278, h2kc * df['SCSNMP2-dfhf-dfmp-CP-hadz'        ]['S22-2'], digits, 'SCSNMP2-CP-hadz')
            qcdb.compare_values(-4.8023, h2kc * df['SCSNMP2-dfhf-dfmp-CP-tz'          ]['S22-2'], digits, 'SCSNMP2-CP-tz')
            qcdb.compare_values(-4.8677, h2kc * df['SCSNMP2-dfhf-dfmp-CP-matz'        ]['S22-2'], digits, 'SCSNMP2-CP-matz')
            qcdb.compare_values(-4.9061, h2kc * df['SCSNMP2-dfhf-dfmp-CP-jatz'        ]['S22-2'], digits, 'SCSNMP2-CP-jatz')
            qcdb.compare_values(-4.9449, h2kc * df['SCSNMP2-dfhf-dfmp-CP-hatz'        ]['S22-2'], digits, 'SCSNMP2-CP-hatz')
            qcdb.compare_values(-4.9664, h2kc * df['SCSNMP2-dfhf-dfmp-CP-qz'          ]['S22-2'], digits, 'SCSNMP2-CP-qz')
            qcdb.compare_values(-5.0049, h2kc * df['SCSNMP2-dfhf-dfmp-CP-aaqz'        ]['S22-2'], digits, 'SCSNMP2-CP-aaqz')
            qcdb.compare_values(-5.0023, h2kc * df['SCSNMP2-dfhf-dfmp-CP-maqz'        ]['S22-2'], digits, 'SCSNMP2-CP-maqz')
            qcdb.compare_values(-5.0180, h2kc * df['SCSNMP2-dfhf-dfmp-CP-jaqz'        ]['S22-2'], digits, 'SCSNMP2-CP-jaqz')
            qcdb.compare_values(-5.0280, h2kc * df['SCSNMP2-dfhf-dfmp-CP-haqz'        ]['S22-2'], digits, 'SCSNMP2-CP-haqz')
            qcdb.compare_values(-5.0700, h2kc * df['SCSNMP2-dfhf-dfmp-CP-tqz'         ]['S22-2'], digits, 'SCSNMP2-CP-tqz')
            qcdb.compare_values(-5.1080, h2kc * df['SCSNMP2-dfhf-dfmp-CP-matqz'       ]['S22-2'], digits, 'SCSNMP2-CP-matqz')
            qcdb.compare_values(-5.0839, h2kc * df['SCSNMP2-dfhf-dfmp-CP-jatqz'       ]['S22-2'], digits, 'SCSNMP2-CP-jatqz')
            qcdb.compare_values(-5.0665, h2kc * df['SCSNMP2-dfhf-dfmp-CP-hatqz'       ]['S22-2'], digits, 'SCSNMP2-CP-hatqz')
            qcdb.compare_values(-4.9925, h2kc * df['SCSNMP2-dfhf-dfmp-CP-dtz'         ]['S22-2'], digits, 'SCSNMP2-CP-dtz')
            qcdb.compare_values(-5.1135, h2kc * df['SCSNMP2-dfhf-dfmp-CP-jadtz'       ]['S22-2'], digits, 'SCSNMP2-CP-jadtz')
            qcdb.compare_values(-5.0337, h2kc * df['SCSNMP2-dfhf-dfmp-CP-hadtz'       ]['S22-2'], digits, 'SCSNMP2-CP-hadtz')

            # SCS(MI)-MP2 calendar
            qcdb.compare_values(-4.8237, h2kc * df['SCSMIMP2-dfhf-dfmp-CP-tz'         ]['S22-2'], digits, 'SCSMIMP2-CP-tz')
            qcdb.compare_values(-4.8938, h2kc * df['SCSMIMP2-dfhf-dfmp-CP-matz'       ]['S22-2'], digits, 'SCSMIMP2-CP-matz')
            qcdb.compare_values(-4.9419, h2kc * df['SCSMIMP2-dfhf-dfmp-CP-jatz'       ]['S22-2'], digits, 'SCSMIMP2-CP-jatz')
            qcdb.compare_values(-4.9905, h2kc * df['SCSMIMP2-dfhf-dfmp-CP-hatz'       ]['S22-2'], digits, 'SCSMIMP2-CP-hatz')
            qcdb.compare_values(-4.8370, h2kc * df['SCSMIMP2-dfhf-dfmp-CP-qz'         ]['S22-2'], digits, 'SCSMIMP2-CP-qz')
            qcdb.compare_values(-4.8770, h2kc * df['SCSMIMP2-dfhf-dfmp-CP-aaqz'       ]['S22-2'], digits, 'SCSMIMP2-CP-aaqz')
            qcdb.compare_values(-4.8754, h2kc * df['SCSMIMP2-dfhf-dfmp-CP-maqz'       ]['S22-2'], digits, 'SCSMIMP2-CP-maqz')
            qcdb.compare_values(-4.8954, h2kc * df['SCSMIMP2-dfhf-dfmp-CP-jaqz'       ]['S22-2'], digits, 'SCSMIMP2-CP-jaqz')
            qcdb.compare_values(-4.9124, h2kc * df['SCSMIMP2-dfhf-dfmp-CP-haqz'       ]['S22-2'], digits, 'SCSMIMP2-CP-haqz')
            qcdb.compare_values(-4.8411, h2kc * df['SCSMIMP2-dfhf-dfmp-CP-dtz'        ]['S22-2'], digits, 'SCSMIMP2-CP-dtz')
            qcdb.compare_values(-4.9695, h2kc * df['SCSMIMP2-dfhf-dfmp-CP-jadtz'      ]['S22-2'], digits, 'SCSMIMP2-CP-jadtz')
            qcdb.compare_values(-4.8974, h2kc * df['SCSMIMP2-dfhf-dfmp-CP-hadtz'      ]['S22-2'], digits, 'SCSMIMP2-CP-hadtz')
            qcdb.compare_values(-4.8621, h2kc * df['SCSMIMP2-dfhf-dfmp-CP-tqz'        ]['S22-2'], digits, 'SCSMIMP2-CP-tqz')
            qcdb.compare_values(-4.9006, h2kc * df['SCSMIMP2-dfhf-dfmp-CP-matqz'      ]['S22-2'], digits, 'SCSMIMP2-CP-matqz')
            qcdb.compare_values(-4.8818, h2kc * df['SCSMIMP2-dfhf-dfmp-CP-jatqz'      ]['S22-2'], digits, 'SCSMIMP2-CP-jatqz')
            qcdb.compare_values(-4.8709, h2kc * df['SCSMIMP2-dfhf-dfmp-CP-hatqz'      ]['S22-2'], digits, 'SCSMIMP2-CP-hatqz')

            # DW-MP2 calendar
            qcdb.compare_values(-3.9257, h2kc * df['DWMP2-dfhf-dfmp-CP-dz'            ]['S22-2'], digits, 'DWMP2-CP-dz')
            qcdb.compare_values(-4.1568, h2kc * df['DWMP2-dfhf-dfmp-CP-jadz'          ]['S22-2'], digits, 'DWMP2-CP-jadz')
            qcdb.compare_values(-4.4033, h2kc * df['DWMP2-dfhf-dfmp-CP-hadz'          ]['S22-2'], digits, 'DWMP2-CP-hadz')
            qcdb.compare_values(-4.4167, h2kc * df['DWMP2-dfhf-dfmp-CP-tz'            ]['S22-2'], digits, 'DWMP2-CP-tz')
            qcdb.compare_values(-4.4971, h2kc * df['DWMP2-dfhf-dfmp-CP-matz'          ]['S22-2'], digits, 'DWMP2-CP-matz')
            qcdb.compare_values(-4.5600, h2kc * df['DWMP2-dfhf-dfmp-CP-jatz'          ]['S22-2'], digits, 'DWMP2-CP-jatz')
            qcdb.compare_values(-4.6374, h2kc * df['DWMP2-dfhf-dfmp-CP-hatz'          ]['S22-2'], digits, 'DWMP2-CP-hatz')
            qcdb.compare_values(-4.6949, h2kc * df['DWMP2-dfhf-dfmp-CP-qz'            ]['S22-2'], digits, 'DWMP2-CP-qz')
            qcdb.compare_values(-4.7402, h2kc * df['DWMP2-dfhf-dfmp-CP-aaqz'          ]['S22-2'], digits, 'DWMP2-CP-aaqz')
            qcdb.compare_values(-4.7420, h2kc * df['DWMP2-dfhf-dfmp-CP-maqz'          ]['S22-2'], digits, 'DWMP2-CP-maqz')
            qcdb.compare_values(-4.7736, h2kc * df['DWMP2-dfhf-dfmp-CP-jaqz'          ]['S22-2'], digits, 'DWMP2-CP-jaqz')
            qcdb.compare_values(-4.8068, h2kc * df['DWMP2-dfhf-dfmp-CP-haqz'          ]['S22-2'], digits, 'DWMP2-CP-haqz')
            qcdb.compare_values(-4.6765, h2kc * df['DWMP2-dfhf-dfmp-CP-dtz'           ]['S22-2'], digits, 'DWMP2-CP-dtz')
            qcdb.compare_values(-4.8391, h2kc * df['DWMP2-dfhf-dfmp-CP-jadtz'         ]['S22-2'], digits, 'DWMP2-CP-jadtz')
            qcdb.compare_values(-4.7754, h2kc * df['DWMP2-dfhf-dfmp-CP-hadtz'         ]['S22-2'], digits, 'DWMP2-CP-hadtz')
            qcdb.compare_values(-4.8818, h2kc * df['DWMP2-dfhf-dfmp-CP-tqz'           ]['S22-2'], digits, 'DWMP2-CP-tqz')
            qcdb.compare_values(-4.9283, h2kc * df['DWMP2-dfhf-dfmp-CP-matqz'         ]['S22-2'], digits, 'DWMP2-CP-matqz')
            qcdb.compare_values(-4.9137, h2kc * df['DWMP2-dfhf-dfmp-CP-jatqz'         ]['S22-2'], digits, 'DWMP2-CP-jatqz')
            qcdb.compare_values(-4.9084, h2kc * df['DWMP2-dfhf-dfmp-CP-hatqz'         ]['S22-2'], digits, 'DWMP2-CP-hatqz')

            # MP2C calendar
            qcdb.compare_values(-3.9365, h2kc * df['MP2C-dfhf-dfmp-SA-dz'             ]['S22-2'], digits, 'MP2C-SA-dz')
            qcdb.compare_values(-4.4548, h2kc * df['MP2C-dfhf-dfmp-SA-tz'             ]['S22-2'], digits, 'MP2C-SA-tz')
            qcdb.compare_values(-4.7261, h2kc * df['MP2C-dfhf-dfmp-SA-dtz'            ]['S22-2'], digits, 'MP2C-SA-dtz')
            #qcdb.compare_values(-4.6913, h2kc * df['MP2C-dfhf-dfmp-SA-atzdz'          ]['S22-2'], digits, 'MP2C-SA-atzdz')
            #qcdb.compare_values(-4.8350, h2kc * df['MP2C-dfhf-dfmp-SA-adtzdz'         ]['S22-2'], digits, 'MP2C-SA-adtzdz')
            #qcdb.compare_values(-4.9559, h2kc * df['MP2C-dfhf-dfmp-SA-atqzdz'         ]['S22-2'], digits, 'MP2C-SA-atqzdz')
            #qcdb.compare_values(-4.9754, h2kc * df['MP2C-dfhf-dfmp-SA-atqztz'         ]['S22-2'], digits, 'MP2C-SA-atqztz')
            #qcdb.compare_values(-4.7190, h2kc * df['MP2C-dfhf-dfmp-SA-atzdtz'         ]['S22-2'], digits, 'MP2C-SA-atzdtz')
            #qcdb.compare_values(-4.9836, h2kc * df['MP2C-dfhf-dfmp-SA-atqzdtz'        ]['S22-2'], digits, 'MP2C-SA-atqzdtz')
            qcdb.compare_values(-4.5484, h2kc * df['MP2C-dfhf-dfmp-SA-matz'           ]['S22-2'], digits, 'MP2C-SA-matz')
            #qcdb.compare_values(-4.9880, h2kc * df['MP2C-dfhf-dfmp-SA-atqzmatz'       ]['S22-2'], digits, 'MP2C-SA-atqzmatz')
            qcdb.compare_values(-4.1892, h2kc * df['MP2C-dfhf-dfmp-SA-jadz'           ]['S22-2'], digits, 'MP2C-SA-jadz')
            qcdb.compare_values(-4.6374, h2kc * df['MP2C-dfhf-dfmp-SA-jatz'           ]['S22-2'], digits, 'MP2C-SA-jatz')
            qcdb.compare_values(-4.9355, h2kc * df['MP2C-dfhf-dfmp-SA-jadtz'          ]['S22-2'], digits, 'MP2C-SA-jadtz')
            #qcdb.compare_values(-4.7120, h2kc * df['MP2C-dfhf-dfmp-SA-atzjadz'        ]['S22-2'], digits, 'MP2C-SA-atzjadz')
            #qcdb.compare_values(-4.8557, h2kc * df['MP2C-dfhf-dfmp-SA-adtzjadz'       ]['S22-2'], digits, 'MP2C-SA-adtzjadz')
            #qcdb.compare_values(-4.9766, h2kc * df['MP2C-dfhf-dfmp-SA-atqzjadz'       ]['S22-2'], digits, 'MP2C-SA-atqzjadz')
            #qcdb.compare_values(-5.0124, h2kc * df['MP2C-dfhf-dfmp-SA-atqzjatz'       ]['S22-2'], digits, 'MP2C-SA-atqzjatz')
            #qcdb.compare_values(-4.7629, h2kc * df['MP2C-dfhf-dfmp-SA-atzjadtz'       ]['S22-2'], digits, 'MP2C-SA-atzjadtz')
            #qcdb.compare_values(-5.0275, h2kc * df['MP2C-dfhf-dfmp-SA-atqzjadtz'      ]['S22-2'], digits, 'MP2C-SA-atqzjadtz')
            qcdb.compare_values(-4.4122, h2kc * df['MP2C-dfhf-dfmp-SA-hadz'           ]['S22-2'], digits, 'MP2C-SA-hadz')
            qcdb.compare_values(-4.7295, h2kc * df['MP2C-dfhf-dfmp-SA-hatz'           ]['S22-2'], digits, 'MP2C-SA-hatz')
            qcdb.compare_values(-4.9026, h2kc * df['MP2C-dfhf-dfmp-SA-hadtz'          ]['S22-2'], digits, 'MP2C-SA-hadtz')
            #qcdb.compare_values(-4.6829, h2kc * df['MP2C-dfhf-dfmp-SA-atzhadz'        ]['S22-2'], digits, 'MP2C-SA-atzhadz')
            #qcdb.compare_values(-4.8266, h2kc * df['MP2C-dfhf-dfmp-SA-adtzhadz'       ]['S22-2'], digits, 'MP2C-SA-adtzhadz')
            #qcdb.compare_values(-4.9475, h2kc * df['MP2C-dfhf-dfmp-SA-atqzhadz'       ]['S22-2'], digits, 'MP2C-SA-atqzhadz')
            #qcdb.compare_values(-5.0259, h2kc * df['MP2C-dfhf-dfmp-SA-atqzhatz'       ]['S22-2'], digits, 'MP2C-SA-atqzhatz')
            #qcdb.compare_values(-4.7944, h2kc * df['MP2C-dfhf-dfmp-SA-atzhadtz'       ]['S22-2'], digits, 'MP2C-SA-atzhadtz')
            #qcdb.compare_values(-5.0589, h2kc * df['MP2C-dfhf-dfmp-SA-atqzhadtz'      ]['S22-2'], digits, 'MP2C-SA-atqzhadtz')

            # HF-CABS calendar
            qcdb.compare_values(-3.5288, h2kc * df['HFCABS-dfhf-CP-dz'           ]['S22-2'], digits, 'HFCABS-CP-dz')
            qcdb.compare_values(-3.6777, h2kc * df['HFCABS-dfhf-CP-jadz'         ]['S22-2'], digits, 'HFCABS-CP-jadz')
            qcdb.compare_values(-3.6210, h2kc * df['HFCABS-dfhf-CP-hadz'         ]['S22-2'], digits, 'HFCABS-CP-hadz')
            qcdb.compare_values(-3.5482, h2kc * df['HFCABS-dfhf-CP-tz'           ]['S22-2'], digits, 'HFCABS-CP-tz')
            qcdb.compare_values(-3.6132, h2kc * df['HFCABS-dfhf-CP-matz'         ]['S22-2'], digits, 'HFCABS-CP-matz')
            qcdb.compare_values(-3.5923, h2kc * df['HFCABS-dfhf-CP-jatz'         ]['S22-2'], digits, 'HFCABS-CP-jatz')
            qcdb.compare_values(-3.5918, h2kc * df['HFCABS-dfhf-CP-hatz'         ]['S22-2'], digits, 'HFCABS-CP-hatz')

            # MP2-F12 calendar
            qcdb.compare_values(-4.7261, h2kc * df['MP2F12-dfhf-dfmp-CP-dz'           ]['S22-2'], digits, 'MP2F12-CP-dz')
            qcdb.compare_values(-4.9290, h2kc * df['MP2F12-dfhf-dfmp-CP-jadz'         ]['S22-2'], digits, 'MP2F12-CP-jadz')
            qcdb.compare_values(-4.9807, h2kc * df['MP2F12-dfhf-dfmp-CP-hadz'         ]['S22-2'], digits, 'MP2F12-CP-hadz')
            qcdb.compare_values(-4.8667, h2kc * df['MP2F12-dfhf-dfmp-CP-tz'           ]['S22-2'], digits, 'MP2F12-CP-tz')
            qcdb.compare_values(-4.9616, h2kc * df['MP2F12-dfhf-dfmp-CP-matz'         ]['S22-2'], digits, 'MP2F12-CP-matz')
            qcdb.compare_values(-4.9695, h2kc * df['MP2F12-dfhf-dfmp-CP-jatz'         ]['S22-2'], digits, 'MP2F12-CP-jatz')
            qcdb.compare_values(-4.9664, h2kc * df['MP2F12-dfhf-dfmp-CP-hatz'         ]['S22-2'], digits, 'MP2F12-CP-hatz')
            qcdb.compare_values(-4.9178, h2kc * df['MP2F12-dfhf-dfmp-CP-dtz'          ]['S22-2'], digits, 'MP2F12-CP-dtz')
            qcdb.compare_values(-5.0225, h2kc * df['MP2F12-dfhf-dfmp-CP-jadtz'        ]['S22-2'], digits, 'MP2F12-CP-jadtz')
            qcdb.compare_values(-4.9726, h2kc * df['MP2F12-dfhf-dfmp-CP-hadtz'        ]['S22-2'], digits, 'MP2F12-CP-hadtz')
            qcdb.compare_values(-4.9198, h2kc * df['MP2F12-dfhf-dfmp-CP-dzf12'        ]['S22-2'], digits, 'MP2F12-CP-dzf12')
            qcdb.compare_values(-4.9395, h2kc * df['MP2F12-dfhf-dfmp-CP-tzf12'        ]['S22-2'], digits, 'MP2F12-CP-tzf12')

            # SCS-MP2-F12 calendar
            qcdb.compare_values(-4.3144, h2kc * df['SCSMP2F12-dfhf-dfmp-CP-dz'        ]['S22-2'], digits, 'SCSMP2F12-CP-dz')
            qcdb.compare_values(-4.5123, h2kc * df['SCSMP2F12-dfhf-dfmp-CP-jadz'      ]['S22-2'], digits, 'SCSMP2F12-CP-jadz')
            qcdb.compare_values(-4.5260, h2kc * df['SCSMP2F12-dfhf-dfmp-CP-hadz'      ]['S22-2'], digits, 'SCSMP2F12-CP-hadz')
            qcdb.compare_values(-4.4302, h2kc * df['SCSMP2F12-dfhf-dfmp-CP-tz'        ]['S22-2'], digits, 'SCSMP2F12-CP-tz')
            qcdb.compare_values(-4.5202, h2kc * df['SCSMP2F12-dfhf-dfmp-CP-matz'      ]['S22-2'], digits, 'SCSMP2F12-CP-matz')
            qcdb.compare_values(-4.5172, h2kc * df['SCSMP2F12-dfhf-dfmp-CP-jatz'      ]['S22-2'], digits, 'SCSMP2F12-CP-jatz')
            qcdb.compare_values(-4.5127, h2kc * df['SCSMP2F12-dfhf-dfmp-CP-hatz'      ]['S22-2'], digits, 'SCSMP2F12-CP-hatz')
            qcdb.compare_values(-4.4707, h2kc * df['SCSMP2F12-dfhf-dfmp-CP-dtz'       ]['S22-2'], digits, 'SCSMP2F12-CP-dtz')
            qcdb.compare_values(-4.5553, h2kc * df['SCSMP2F12-dfhf-dfmp-CP-jadtz'     ]['S22-2'], digits, 'SCSMP2F12-CP-jadtz')
            qcdb.compare_values(-4.5194, h2kc * df['SCSMP2F12-dfhf-dfmp-CP-hadtz'     ]['S22-2'], digits, 'SCSMP2F12-CP-hadtz')
            qcdb.compare_values(-4.4683, h2kc * df['SCSMP2F12-dfhf-dfmp-CP-dzf12'     ]['S22-2'], digits, 'SCSMP2F12-CP-dzf12')
            qcdb.compare_values(-4.4848, h2kc * df['SCSMP2F12-dfhf-dfmp-CP-tzf12'     ]['S22-2'], digits, 'SCSMP2F12-CP-tzf12')

            # SCS(N)-MP2-F12 calendar
            qcdb.compare_values(-4.8511, h2kc * df['SCSNMP2F12-dfhf-dfmp-CP-dz'       ]['S22-2'], digits, 'SCSNMP2F12-CP-dz')
            qcdb.compare_values(-5.0322, h2kc * df['SCSNMP2F12-dfhf-dfmp-CP-jadz'     ]['S22-2'], digits, 'SCSNMP2F12-CP-jadz')
            qcdb.compare_values(-5.0966, h2kc * df['SCSNMP2F12-dfhf-dfmp-CP-hadz'     ]['S22-2'], digits, 'SCSNMP2F12-CP-hadz')
            qcdb.compare_values(-4.9704, h2kc * df['SCSNMP2F12-dfhf-dfmp-CP-tz'       ]['S22-2'], digits, 'SCSNMP2F12-CP-tz')
            qcdb.compare_values(-5.0571, h2kc * df['SCSNMP2F12-dfhf-dfmp-CP-matz'     ]['S22-2'], digits, 'SCSNMP2F12-CP-matz')
            qcdb.compare_values(-5.0701, h2kc * df['SCSNMP2F12-dfhf-dfmp-CP-jatz'     ]['S22-2'], digits, 'SCSNMP2F12-CP-jatz')
            qcdb.compare_values(-5.0713, h2kc * df['SCSNMP2F12-dfhf-dfmp-CP-hatz'     ]['S22-2'], digits, 'SCSNMP2F12-CP-hatz')
            qcdb.compare_values(-5.0124, h2kc * df['SCSNMP2F12-dfhf-dfmp-CP-dtz'      ]['S22-2'], digits, 'SCSNMP2F12-CP-dtz')
            qcdb.compare_values(-5.1221, h2kc * df['SCSNMP2F12-dfhf-dfmp-CP-jadtz'    ]['S22-2'], digits, 'SCSNMP2F12-CP-jadtz')
            qcdb.compare_values(-5.0729, h2kc * df['SCSNMP2F12-dfhf-dfmp-CP-hadtz'    ]['S22-2'], digits, 'SCSNMP2F12-CP-hadtz')
            qcdb.compare_values(-5.0435, h2kc * df['SCSNMP2F12-dfhf-dfmp-CP-dzf12'    ]['S22-2'], digits, 'SCSNMP2F12-CP-dzf12')
            qcdb.compare_values(-5.0572, h2kc * df['SCSNMP2F12-dfhf-dfmp-CP-tzf12'    ]['S22-2'], digits, 'SCSNMP2F12-CP-tzf12')

            # SCS(MI)-MP2-F12 calendar
            qcdb.compare_values(-5.0491, h2kc * df['SCSMIMP2F12-dfhf-dfmp-CP-tz'      ]['S22-2'], digits, 'SCSMIMP2F12-CP-tz')
            qcdb.compare_values(-5.1387, h2kc * df['SCSMIMP2F12-dfhf-dfmp-CP-matz'    ]['S22-2'], digits, 'SCSMIMP2F12-CP-matz')
            qcdb.compare_values(-5.1531, h2kc * df['SCSMIMP2F12-dfhf-dfmp-CP-jatz'    ]['S22-2'], digits, 'SCSMIMP2F12-CP-jatz')
            qcdb.compare_values(-5.1537, h2kc * df['SCSMIMP2F12-dfhf-dfmp-CP-hatz'    ]['S22-2'], digits, 'SCSMIMP2F12-CP-hatz')
            qcdb.compare_values(-4.9187, h2kc * df['SCSMIMP2F12-dfhf-dfmp-CP-dtz'     ]['S22-2'], digits, 'SCSMIMP2F12-CP-dtz')
            qcdb.compare_values(-5.0240, h2kc * df['SCSMIMP2F12-dfhf-dfmp-CP-jadtz'   ]['S22-2'], digits, 'SCSMIMP2F12-CP-jadtz')
            qcdb.compare_values(-4.9769, h2kc * df['SCSMIMP2F12-dfhf-dfmp-CP-hadtz'   ]['S22-2'], digits, 'SCSMIMP2F12-CP-hadtz')
            qcdb.compare_values(-5.1371, h2kc * df['SCSMIMP2F12-dfhf-dfmp-CP-tzf12'   ]['S22-2'], digits, 'SCSMIMP2F12-CP-tzf12')

            # DW-MP2-F12 calendar
            qcdb.compare_values(-4.7091, h2kc * df['DWMP2F12-dfhf-dfmp-CP-dz'         ]['S22-2'], digits, 'DWMP2F12-CP-dz')
            qcdb.compare_values(-4.9118, h2kc * df['DWMP2F12-dfhf-dfmp-CP-jadz'       ]['S22-2'], digits, 'DWMP2F12-CP-jadz')
            qcdb.compare_values(-4.9605, h2kc * df['DWMP2F12-dfhf-dfmp-CP-hadz'       ]['S22-2'], digits, 'DWMP2F12-CP-hadz')
            qcdb.compare_values(-4.8475, h2kc * df['DWMP2F12-dfhf-dfmp-CP-tz'         ]['S22-2'], digits, 'DWMP2F12-CP-tz')
            qcdb.compare_values(-4.9420, h2kc * df['DWMP2F12-dfhf-dfmp-CP-matz'       ]['S22-2'], digits, 'DWMP2F12-CP-matz')
            qcdb.compare_values(-4.9491, h2kc * df['DWMP2F12-dfhf-dfmp-CP-jatz'       ]['S22-2'], digits, 'DWMP2F12-CP-jatz')
            qcdb.compare_values(-4.9459, h2kc * df['DWMP2F12-dfhf-dfmp-CP-hatz'       ]['S22-2'], digits, 'DWMP2F12-CP-hatz')
            qcdb.compare_values(-4.8976, h2kc * df['DWMP2F12-dfhf-dfmp-CP-dtz'        ]['S22-2'], digits, 'DWMP2F12-CP-dtz')
            qcdb.compare_values(-5.0008, h2kc * df['DWMP2F12-dfhf-dfmp-CP-jadtz'      ]['S22-2'], digits, 'DWMP2F12-CP-jadtz')
            qcdb.compare_values(-4.9521, h2kc * df['DWMP2F12-dfhf-dfmp-CP-hadtz'      ]['S22-2'], digits, 'DWMP2F12-CP-hadtz')
            qcdb.compare_values(-4.8998, h2kc * df['DWMP2F12-dfhf-dfmp-CP-dzf12'      ]['S22-2'], digits, 'DWMP2F12-CP-dzf12')
            qcdb.compare_values(-4.9192, h2kc * df['DWMP2F12-dfhf-dfmp-CP-tzf12'      ]['S22-2'], digits, 'DWMP2F12-CP-tzf12')

            # MP2C-F12 calendar
            qcdb.compare_values(-4.7299, h2kc * df['MP2CF12-dfhf-dfmp-SA-dz'          ]['S22-2'], digits, 'MP2CF12-SA-dz')
            qcdb.compare_values(-4.9643, h2kc * df['MP2CF12-dfhf-dfmp-SA-atqzdz'      ]['S22-2'], digits, 'MP2CF12-SA-atqzdz')
            qcdb.compare_values(-4.9975, h2kc * df['MP2CF12-dfhf-dfmp-SA-matz'        ]['S22-2'], digits, 'MP2CF12-SA-matz')
            qcdb.compare_values(-4.9493, h2kc * df['MP2CF12-dfhf-dfmp-SA-dtz'         ]['S22-2'], digits, 'MP2CF12-SA-dtz')
            qcdb.compare_values(-4.9567, h2kc * df['MP2CF12-dfhf-dfmp-SA-atzdz'       ]['S22-2'], digits, 'MP2CF12-SA-atzdz')
            qcdb.compare_values(-4.8901, h2kc * df['MP2CF12-dfhf-dfmp-SA-tz'          ]['S22-2'], digits, 'MP2CF12-SA-tz')
            #qcdb.compare_values(-4.9964, h2kc * df['MP2CF12-dfhf-dfmp-SA-atqzmatz'    ]['S22-2'], digits, 'MP2CF12-SA-atqzmatz')
            #qcdb.compare_values(-4.9921, h2kc * df['MP2CF12-dfhf-dfmp-SA-atqzdtz'     ]['S22-2'], digits, 'MP2CF12-SA-atqzdtz')
            #qcdb.compare_values(-4.9838, h2kc * df['MP2CF12-dfhf-dfmp-SA-atqztz'      ]['S22-2'], digits, 'MP2CF12-SA-atqztz')
            #qcdb.compare_values(-4.9844, h2kc * df['MP2CF12-dfhf-dfmp-SA-atzdtz'      ]['S22-2'], digits, 'MP2CF12-SA-atzdtz')
            #qcdb.compare_values(-4.9728, h2kc * df['MP2CF12-dfhf-dfmp-SA-adtzdz'      ]['S22-2'], digits, 'MP2CF12-SA-adtzdz')
            qcdb.compare_values(-4.9536, h2kc * df['MP2CF12-dfhf-dfmp-SA-jadz'        ]['S22-2'], digits, 'MP2CF12-SA-jadz')
            qcdb.compare_values(-5.0298, h2kc * df['MP2CF12-dfhf-dfmp-SA-jatz'        ]['S22-2'], digits, 'MP2CF12-SA-jatz')
            qcdb.compare_values(-5.0979, h2kc * df['MP2CF12-dfhf-dfmp-SA-jadtz'       ]['S22-2'], digits, 'MP2CF12-SA-jadtz')
            #qcdb.compare_values(-4.9774, h2kc * df['MP2CF12-dfhf-dfmp-SA-atzjadz'     ]['S22-2'], digits, 'MP2CF12-SA-atzjadz')
            #qcdb.compare_values(-4.9935, h2kc * df['MP2CF12-dfhf-dfmp-SA-adtzjadz'    ]['S22-2'], digits, 'MP2CF12-SA-adtzjadz')
            #qcdb.compare_values(-4.9850, h2kc * df['MP2CF12-dfhf-dfmp-SA-atqzjadz'    ]['S22-2'], digits, 'MP2CF12-SA-atqzjadz')
            #qcdb.compare_values(-5.0208, h2kc * df['MP2CF12-dfhf-dfmp-SA-atqzjatz'    ]['S22-2'], digits, 'MP2CF12-SA-atqzjatz')
            #qcdb.compare_values(-5.0283, h2kc * df['MP2CF12-dfhf-dfmp-SA-atzjadtz'    ]['S22-2'], digits, 'MP2CF12-SA-atzjadtz')
            #qcdb.compare_values(-5.0359, h2kc * df['MP2CF12-dfhf-dfmp-SA-atqzjadtz'   ]['S22-2'], digits, 'MP2CF12-SA-atqzjadtz')
            qcdb.compare_values(-4.9762, h2kc * df['MP2CF12-dfhf-dfmp-SA-hadz'        ]['S22-2'], digits, 'MP2CF12-SA-hadz')
            qcdb.compare_values(-5.0402, h2kc * df['MP2CF12-dfhf-dfmp-SA-hatz'        ]['S22-2'], digits, 'MP2CF12-SA-hatz')
            qcdb.compare_values(-5.0795, h2kc * df['MP2CF12-dfhf-dfmp-SA-hadtz'       ]['S22-2'], digits, 'MP2CF12-SA-hadtz')
            #qcdb.compare_values(-4.9484, h2kc * df['MP2CF12-dfhf-dfmp-SA-atzhadz'     ]['S22-2'], digits, 'MP2CF12-SA-atzhadz')
            #qcdb.compare_values(-4.9644, h2kc * df['MP2CF12-dfhf-dfmp-SA-adtzhadz'    ]['S22-2'], digits, 'MP2CF12-SA-adtzhadz')
            #qcdb.compare_values(-4.9560, h2kc * df['MP2CF12-dfhf-dfmp-SA-atqzhadz'    ]['S22-2'], digits, 'MP2CF12-SA-atqzhadz')
            #qcdb.compare_values(-5.0344, h2kc * df['MP2CF12-dfhf-dfmp-SA-atqzhatz'    ]['S22-2'], digits, 'MP2CF12-SA-atqzhatz')
            #qcdb.compare_values(-5.0598, h2kc * df['MP2CF12-dfhf-dfmp-SA-atzhadtz'    ]['S22-2'], digits, 'MP2CF12-SA-atzhadtz')
            #qcdb.compare_values(-5.0674, h2kc * df['MP2CF12-dfhf-dfmp-SA-atqzhadtz'   ]['S22-2'], digits, 'MP2CF12-SA-atqzhadtz')
            qcdb.compare_values(-4.9584, h2kc * df['MP2CF12-dfhf-dfmp-SA-dzf12'              ]['S22-2'], digits, 'MP2CF12-SA-dzf12')

           # unordered
            #qcdb.compare_values(-4.8370, h2kc * df['SCSMIMP2-CP-qz'         ]['S22-2'], digits, 'SCSMIMP2-CP-qz')
            #qcdb.compare_values(-4.6949, h2kc * df['DWMP2-CP-qz'            ]['S22-2'], digits, 'DWMP2-CP-qz')
            #qcdb.compare_values(-4.9664, h2kc * df['SCSNMP2-CP-qz'          ]['S22-2'], digits, 'SCSNMP2-CP-qz')
            #qcdb.compare_values(-4.2561, h2kc * df['SCSMP2-CP-qz'           ]['S22-2'], digits, 'SCSMP2-CP-qz')
            #qcdb.compare_values(-3.5772, h2kc * df['HF-CP-qz'               ]['S22-2'], digits, 'HF-CP-qz')
            #qcdb.compare_values(-4.7130, h2kc * df['MP2-CP-qz'              ]['S22-2'], digits, 'MP2-CP-qz')
            #qcdb.compare_values(-3.5829, h2kc * df['HFCABS-CP-atz'          ]['S22-2'], digits, 'HFCABS-CP-atz')
            #qcdb.compare_values(-5.0178, h2kc * df['SCSMIMP2-CP-atz'        ]['S22-2'], digits, 'SCSMIMP2-CP-atz')
            #qcdb.compare_values(-4.6687, h2kc * df['DWMP2-CP-atz'           ]['S22-2'], digits, 'DWMP2-CP-atz')
            #qcdb.compare_values(-4.7524, h2kc * df['SCSMICCSD-CP-atz'       ]['S22-2'], digits, 'SCSMICCSD-CP-atz')
            #qcdb.compare_values(-4.6753, h2kc * df['MP3-CP-atz'             ]['S22-2'], digits, 'MP3-CP-atz')
            #qcdb.compare_values(-5.0511, h2kc * df['MP2CF12-CP-atz'         ]['S22-2'], digits, 'MP2CF12-CP-atz')
            #qcdb.compare_values(-4.9529, h2kc * df['MP2F12-CP-atz'          ]['S22-2'], digits, 'MP2F12-CP-atz')
            #qcdb.compare_values(-4.7287, h2kc * df['CCSDT-CP-atz'           ]['S22-2'], digits, 'CCSDT-CP-atz')
            #qcdb.compare_values(-4.9695, h2kc * df['SCSNMP2-CP-atz'         ]['S22-2'], digits, 'SCSNMP2-CP-atz')
            #qcdb.compare_values(-4.6270, h2kc * df['SCSCCSD-CP-atz'         ]['S22-2'], digits, 'SCSCCSD-CP-atz')
            #qcdb.compare_values(-4.4978, h2kc * df['SCSMP2F12-CP-atz'       ]['S22-2'], digits, 'SCSMP2F12-CP-atz')
            #qcdb.compare_values(-4.2156, h2kc * df['SCSMP2-CP-atz'          ]['S22-2'], digits, 'SCSMP2-CP-atz')
            #qcdb.compare_values(-4.9324, h2kc * df['DWMP2F12-CP-atz'        ]['S22-2'], digits, 'DWMP2F12-CP-atz')
            #qcdb.compare_values(-4.7857, h2kc * df['MP2C-CP-atz'            ]['S22-2'], digits, 'MP2C-CP-atz')
            #qcdb.compare_values(-4.4963, h2kc * df['CCSD-CP-atz'            ]['S22-2'], digits, 'CCSD-CP-atz')
            #qcdb.compare_values(-3.5488, h2kc * df['HF-CP-atz'              ]['S22-2'], digits, 'HF-CP-atz')
            #qcdb.compare_values(-4.6875, h2kc * df['MP2-CP-atz'             ]['S22-2'], digits, 'MP2-CP-atz')
            #qcdb.compare_values(-5.1450, h2kc * df['SCSMIMP2F12-CP-atz'     ]['S22-2'], digits, 'SCSMIMP2F12-CP-atz')
            #qcdb.compare_values(-5.0636, h2kc * df['SCSNMP2F12-CP-atz'      ]['S22-2'], digits, 'SCSNMP2F12-CP-atz')
            #qcdb.compare_values(-4.6814, h2kc * df['MP25-CP-atz'            ]['S22-2'], digits, 'MP25-CP-atz')
            #qcdb.compare_values(-4.9006, h2kc * df['SCSMIMP2-CP-matqz'      ]['S22-2'], digits, 'SCSMIMP2-CP-matqz')
            #qcdb.compare_values(-4.9283, h2kc * df['DWMP2-CP-matqz'         ]['S22-2'], digits, 'DWMP2-CP-matqz')
            #qcdb.compare_values(-5.1080, h2kc * df['SCSNMP2-CP-matqz'       ]['S22-2'], digits, 'SCSNMP2-CP-matqz')
            #qcdb.compare_values(-4.4712, h2kc * df['SCSMP2-CP-matqz'        ]['S22-2'], digits, 'SCSMP2-CP-matqz')
            #qcdb.compare_values(-4.9497, h2kc * df['MP2-CP-matqz'           ]['S22-2'], digits, 'MP2-CP-matqz')
            #qcdb.compare_values(-4.8709, h2kc * df['SCSMIMP2-CP-hatqz'      ]['S22-2'], digits, 'SCSMIMP2-CP-hatqz')
            #qcdb.compare_values(-4.9084, h2kc * df['DWMP2-CP-hatqz'         ]['S22-2'], digits, 'DWMP2-CP-hatqz')
            #qcdb.compare_values(-5.0665, h2kc * df['SCSNMP2-CP-hatqz'       ]['S22-2'], digits, 'SCSNMP2-CP-hatqz')
            #qcdb.compare_values(-4.4657, h2kc * df['SCSMP2-CP-hatqz'        ]['S22-2'], digits, 'SCSMP2-CP-hatqz')
            #qcdb.compare_values(-4.9290, h2kc * df['MP2-CP-hatqz'           ]['S22-2'], digits, 'MP2-CP-hatqz')
            #qcdb.compare_values(-4.8954, h2kc * df['SCSMIMP2-CP-jaqz'       ]['S22-2'], digits, 'SCSMIMP2-CP-jaqz')
            #qcdb.compare_values(-4.7736, h2kc * df['DWMP2-CP-jaqz'          ]['S22-2'], digits, 'DWMP2-CP-jaqz')
            #qcdb.compare_values(-5.0180, h2kc * df['SCSNMP2-CP-jaqz'        ]['S22-2'], digits, 'SCSNMP2-CP-jaqz')
            #qcdb.compare_values(-4.3258, h2kc * df['SCSMP2-CP-jaqz'         ]['S22-2'], digits, 'SCSMP2-CP-jaqz')
            #qcdb.compare_values(-3.5743, h2kc * df['HF-CP-jaqz'             ]['S22-2'], digits, 'HF-CP-jaqz')
            #qcdb.compare_values(-4.7930, h2kc * df['MP2-CP-jaqz'            ]['S22-2'], digits, 'MP2-CP-jaqz')
            #qcdb.compare_values(-4.8818, h2kc * df['SCSMIMP2-CP-jatqz'      ]['S22-2'], digits, 'SCSMIMP2-CP-jatqz')
            #qcdb.compare_values(-4.9137, h2kc * df['DWMP2-CP-jatqz'         ]['S22-2'], digits, 'DWMP2-CP-jatqz')
            #qcdb.compare_values(-5.0839, h2kc * df['SCSNMP2-CP-jatqz'       ]['S22-2'], digits, 'SCSNMP2-CP-jatqz')
            #qcdb.compare_values(-4.4635, h2kc * df['SCSMP2-CP-jatqz'        ]['S22-2'], digits, 'SCSMP2-CP-jatqz')
            #qcdb.compare_values(-4.9348, h2kc * df['MP2-CP-jatqz'           ]['S22-2'], digits, 'MP2-CP-jatqz')
            #qcdb.compare_values(-3.6210, h2kc * df['HFCABS-CP-hadz'         ]['S22-2'], digits, 'HFCABS-CP-hadz')
            #qcdb.compare_values(-4.4033, h2kc * df['DWMP2-CP-hadz'          ]['S22-2'], digits, 'DWMP2-CP-hadz')
            #qcdb.compare_values(-4.9762, h2kc * df['MP2CF12-CP-hadz'        ]['S22-2'], digits, 'MP2CF12-CP-hadz')
            #qcdb.compare_values(-4.9807, h2kc * df['MP2F12-CP-hadz'         ]['S22-2'], digits, 'MP2F12-CP-hadz')
            #qcdb.compare_values(-4.8278, h2kc * df['SCSNMP2-CP-hadz'        ]['S22-2'], digits, 'SCSNMP2-CP-hadz')
            #qcdb.compare_values(-4.5260, h2kc * df['SCSMP2F12-CP-hadz'      ]['S22-2'], digits, 'SCSMP2F12-CP-hadz')
            #qcdb.compare_values(-3.9871, h2kc * df['SCSMP2-CP-hadz'         ]['S22-2'], digits, 'SCSMP2-CP-hadz')
            #qcdb.compare_values(-4.9605, h2kc * df['DWMP2F12-CP-hadz'       ]['S22-2'], digits, 'DWMP2F12-CP-hadz')
            #qcdb.compare_values(-4.4122, h2kc * df['MP2C-CP-hadz'           ]['S22-2'], digits, 'MP2C-CP-hadz')
            #qcdb.compare_values(-3.6397, h2kc * df['HF-CP-hadz'             ]['S22-2'], digits, 'HF-CP-hadz')
            #qcdb.compare_values(-4.4167, h2kc * df['MP2-CP-hadz'            ]['S22-2'], digits, 'MP2-CP-hadz')
            #qcdb.compare_values(-5.0966, h2kc * df['SCSNMP2F12-CP-hadz'     ]['S22-2'], digits, 'SCSNMP2F12-CP-hadz')
            #qcdb.compare_values(-4.9728, h2kc * df['MP2CF12-CP-adtzdz'      ]['S22-2'], digits, 'MP2CF12-CP-adtzdz')
            #qcdb.compare_values(-4.8350, h2kc * df['MP2C-CP-adtzdz'         ]['S22-2'], digits, 'MP2C-CP-adtzdz')
            #qcdb.compare_values(-5.0674, h2kc * df['MP2CF12-CP-atqzhadtz'   ]['S22-2'], digits, 'MP2CF12-CP-atqzhadtz')
            #qcdb.compare_values(-5.0589, h2kc * df['MP2C-CP-atqzhadtz'      ]['S22-2'], digits, 'MP2C-CP-atqzhadtz')
            #qcdb.compare_values(-4.7339, h2kc * df['CCSDAF12-CP-atzadz'     ]['S22-2'], digits, 'CCSDAF12-CP-atzadz')
            #qcdb.compare_values(-5.0115, h2kc * df['SCMICCSDAF12-CP-atzadz' ]['S22-2'], digits, 'SCMICCSDAF12-CP-atzadz')
            #qcdb.compare_values(-4.9399, h2kc * df['SCMICCSDBF12-CP-atzadz' ]['S22-2'], digits, 'SCMICCSDBF12-CP-atzadz')
            #qcdb.compare_values(-4.6725, h2kc * df['SCSMICCSD-CP-atzadz'    ]['S22-2'], digits, 'SCSMICCSD-CP-atzadz')
            #qcdb.compare_values(-4.6255, h2kc * df['MP3-CP-atzadz'          ]['S22-2'], digits, 'MP3-CP-atzadz')
            #qcdb.compare_values(-4.9814, h2kc * df['MP2CF12-CP-atzadz'      ]['S22-2'], digits, 'MP2CF12-CP-atzadz')
            #qcdb.compare_values(-4.8300, h2kc * df['SCSCCSDBF12-CP-atzadz'  ]['S22-2'], digits, 'SCSCCSDBF12-CP-atzadz')
            #qcdb.compare_values(-4.6533, h2kc * df['CCSDT-CP-atzadz'        ]['S22-2'], digits, 'CCSDT-CP-atzadz')
            #qcdb.compare_values(-4.6718, h2kc * df['CCSDBF12-CP-atzadz'     ]['S22-2'], digits, 'CCSDBF12-CP-atzadz')
            #qcdb.compare_values(-4.8952, h2kc * df['CCSDTBF12-CP-atzadz'    ]['S22-2'], digits, 'CCSDTBF12-CP-atzadz')
            #qcdb.compare_values(-4.5227, h2kc * df['SCSCCSD-CP-atzadz'      ]['S22-2'], digits, 'SCSCCSD-CP-atzadz')
            #qcdb.compare_values(-4.9559, h2kc * df['DWCCSDTF12-CP-atzadz'   ]['S22-2'], digits, 'DWCCSDTF12-CP-atzadz')
            #qcdb.compare_values(-4.9065, h2kc * df['SCSCCSDAF12-CP-atzadz'  ]['S22-2'], digits, 'SCSCCSDAF12-CP-atzadz')
            #qcdb.compare_values(-4.7160, h2kc * df['MP2C-CP-atzadz'         ]['S22-2'], digits, 'MP2C-CP-atzadz')
            #qcdb.compare_values(-4.4748, h2kc * df['CCSD-CP-atzadz'         ]['S22-2'], digits, 'CCSD-CP-atzadz')
            #qcdb.compare_values(-4.9572, h2kc * df['CCSDTAF12-CP-atzadz'    ]['S22-2'], digits, 'CCSDTAF12-CP-atzadz')
            #qcdb.compare_values(-4.6565, h2kc * df['MP25-CP-atzadz'         ]['S22-2'], digits, 'MP25-CP-atzadz')
            #qcdb.compare_values(-4.9844, h2kc * df['MP2CF12-CP-atzdtz'      ]['S22-2'], digits, 'MP2CF12-CP-atzdtz')
            #qcdb.compare_values(-4.7190, h2kc * df['MP2C-CP-atzdtz'         ]['S22-2'], digits, 'MP2C-CP-atzdtz')
            #qcdb.compare_values(-4.7499, h2kc * df['CCSDAF12-CP-adtzadz'    ]['S22-2'], digits, 'CCSDAF12-CP-adtzadz')
            #qcdb.compare_values(-5.0276, h2kc * df['SCMICCSDAF12-CP-adtzadz']['S22-2'], digits, 'SCMICCSDAF12-CP-adtzadz')
            #qcdb.compare_values(-4.9560, h2kc * df['SCMICCSDBF12-CP-adtzadz']['S22-2'], digits, 'SCMICCSDBF12-CP-adtzadz')
            #qcdb.compare_values(-4.8162, h2kc * df['SCSMICCSD-CP-adtzadz'   ]['S22-2'], digits, 'SCSMICCSD-CP-adtzadz')
            #qcdb.compare_values(-4.7692, h2kc * df['MP3-CP-adtzadz'         ]['S22-2'], digits, 'MP3-CP-adtzadz')
            #qcdb.compare_values(-4.9975, h2kc * df['MP2CF12-CP-adtzadz'     ]['S22-2'], digits, 'MP2CF12-CP-adtzadz')
            #qcdb.compare_values(-4.8460, h2kc * df['SCSCCSDBF12-CP-adtzadz' ]['S22-2'], digits, 'SCSCCSDBF12-CP-adtzadz')
            #qcdb.compare_values(-4.7970, h2kc * df['CCSDT-CP-adtzadz'       ]['S22-2'], digits, 'CCSDT-CP-adtzadz')
            #qcdb.compare_values(-4.6879, h2kc * df['CCSDBF12-CP-adtzadz'    ]['S22-2'], digits, 'CCSDBF12-CP-adtzadz')
            #qcdb.compare_values(-4.9112, h2kc * df['CCSDTBF12-CP-adtzadz'   ]['S22-2'], digits, 'CCSDTBF12-CP-adtzadz')
            #qcdb.compare_values(-4.6664, h2kc * df['SCSCCSD-CP-adtzadz'     ]['S22-2'], digits, 'SCSCCSD-CP-adtzadz')
            #qcdb.compare_values(-4.9719, h2kc * df['DWCCSDTF12-CP-adtzadz'  ]['S22-2'], digits, 'DWCCSDTF12-CP-adtzadz')
            #qcdb.compare_values(-4.9225, h2kc * df['SCSCCSDAF12-CP-adtzadz' ]['S22-2'], digits, 'SCSCCSDAF12-CP-adtzadz')
            #qcdb.compare_values(-4.8597, h2kc * df['MP2C-CP-adtzadz'        ]['S22-2'], digits, 'MP2C-CP-adtzadz')
            #qcdb.compare_values(-4.6185, h2kc * df['CCSD-CP-adtzadz'        ]['S22-2'], digits, 'CCSD-CP-adtzadz')
            #qcdb.compare_values(-4.9732, h2kc * df['CCSDTAF12-CP-adtzadz'   ]['S22-2'], digits, 'CCSDTAF12-CP-adtzadz')
            #qcdb.compare_values(-4.8002, h2kc * df['MP25-CP-adtzadz'        ]['S22-2'], digits, 'MP25-CP-adtzadz')
            #qcdb.compare_values(-5.0359, h2kc * df['MP2CF12-CP-atqzjadtz'   ]['S22-2'], digits, 'MP2CF12-CP-atqzjadtz')
            #qcdb.compare_values(-5.0275, h2kc * df['MP2C-CP-atqzjadtz'      ]['S22-2'], digits, 'MP2C-CP-atqzjadtz')
            #qcdb.compare_values(-5.0170, h2kc * df['SCSMICCSD-CP-atqzatz'   ]['S22-2'], digits, 'SCSMICCSD-CP-atqzatz')
            #qcdb.compare_values(-4.9399, h2kc * df['MP3-CP-atqzatz'         ]['S22-2'], digits, 'MP3-CP-atqzatz')
            #qcdb.compare_values(-5.0587, h2kc * df['MP2CF12-CP-atqzatz'     ]['S22-2'], digits, 'MP2CF12-CP-atqzatz')
            #qcdb.compare_values(-4.9933, h2kc * df['CCSDT-CP-atqzatz'       ]['S22-2'], digits, 'CCSDT-CP-atqzatz')
            #qcdb.compare_values(-4.8915, h2kc * df['SCSCCSD-CP-atqzatz'     ]['S22-2'], digits, 'SCSCCSD-CP-atqzatz')
            #qcdb.compare_values(-5.0503, h2kc * df['MP2C-CP-atqzatz'        ]['S22-2'], digits, 'MP2C-CP-atqzatz')
            #qcdb.compare_values(-4.7608, h2kc * df['CCSD-CP-atqzatz'        ]['S22-2'], digits, 'CCSD-CP-atqzatz')
            #qcdb.compare_values(-4.9460, h2kc * df['MP25-CP-atqzatz'        ]['S22-2'], digits, 'MP25-CP-atqzatz')
            #qcdb.compare_values(-4.8974, h2kc * df['SCSMIMP2-CP-hadtz'      ]['S22-2'], digits, 'SCSMIMP2-CP-hadtz')
            #qcdb.compare_values(-4.7754, h2kc * df['DWMP2-CP-hadtz'         ]['S22-2'], digits, 'DWMP2-CP-hadtz')
            #qcdb.compare_values(-5.0795, h2kc * df['MP2CF12-CP-hadtz'       ]['S22-2'], digits, 'MP2CF12-CP-hadtz')
            #qcdb.compare_values(-4.9726, h2kc * df['MP2F12-CP-hadtz'        ]['S22-2'], digits, 'MP2F12-CP-hadtz')
            #qcdb.compare_values(-5.0337, h2kc * df['SCSNMP2-CP-hadtz'       ]['S22-2'], digits, 'SCSNMP2-CP-hadtz')
            #qcdb.compare_values(-4.5194, h2kc * df['SCSMP2F12-CP-hadtz'     ]['S22-2'], digits, 'SCSMP2F12-CP-hadtz')
            #qcdb.compare_values(-4.3131, h2kc * df['SCSMP2-CP-hadtz'        ]['S22-2'], digits, 'SCSMP2-CP-hadtz')
            #qcdb.compare_values(-4.9521, h2kc * df['DWMP2F12-CP-hadtz'      ]['S22-2'], digits, 'DWMP2F12-CP-hadtz')
            #qcdb.compare_values(-4.9026, h2kc * df['MP2C-CP-hadtz'          ]['S22-2'], digits, 'MP2C-CP-hadtz')
            #qcdb.compare_values(-4.7958, h2kc * df['MP2-CP-hadtz'           ]['S22-2'], digits, 'MP2-CP-hadtz')
            #qcdb.compare_values(-4.9769, h2kc * df['SCSMIMP2F12-CP-hadtz'   ]['S22-2'], digits, 'SCSMIMP2F12-CP-hadtz')
            #qcdb.compare_values(-5.0729, h2kc * df['SCSNMP2F12-CP-hadtz'    ]['S22-2'], digits, 'SCSNMP2F12-CP-hadtz')
            #qcdb.compare_values(-4.7000, h2kc * df['CCSDAF12-CP-adz'        ]['S22-2'], digits, 'CCSDAF12-CP-adz')
            #qcdb.compare_values(-3.5871, h2kc * df['HFCABS-CP-adz'          ]['S22-2'], digits, 'HFCABS-CP-adz')
            #qcdb.compare_values(-4.9776, h2kc * df['SCMICCSDAF12-CP-adz'    ]['S22-2'], digits, 'SCMICCSDAF12-CP-adz')
            #qcdb.compare_values(-4.9060, h2kc * df['SCMICCSDBF12-CP-adz'    ]['S22-2'], digits, 'SCMICCSDBF12-CP-adz')
            #qcdb.compare_values(-4.3519, h2kc * df['DWMP2-CP-adz'           ]['S22-2'], digits, 'DWMP2-CP-adz')
            #qcdb.compare_values(-4.3508, h2kc * df['SCSMICCSD-CP-adz'       ]['S22-2'], digits, 'SCSMICCSD-CP-adz')
            #qcdb.compare_values(-4.3038, h2kc * df['MP3-CP-adz'             ]['S22-2'], digits, 'MP3-CP-adz')
            #qcdb.compare_values(-4.9475, h2kc * df['MP2CF12-CP-adz'         ]['S22-2'], digits, 'MP2CF12-CP-adz')
            #qcdb.compare_values(-4.7961, h2kc * df['SCSCCSDBF12-CP-adz'     ]['S22-2'], digits, 'SCSCCSDBF12-CP-adz')
            #qcdb.compare_values(-4.9190, h2kc * df['MP2F12-CP-adz'          ]['S22-2'], digits, 'MP2F12-CP-adz')
            #qcdb.compare_values(-4.3316, h2kc * df['CCSDT-CP-adz'           ]['S22-2'], digits, 'CCSDT-CP-adz')
            #qcdb.compare_values(-4.6379, h2kc * df['CCSDBF12-CP-adz'        ]['S22-2'], digits, 'CCSDBF12-CP-adz')
            #qcdb.compare_values(-4.7784, h2kc * df['SCSNMP2-CP-adz'         ]['S22-2'], digits, 'SCSNMP2-CP-adz')
            #qcdb.compare_values(-4.8612, h2kc * df['CCSDTBF12-CP-adz'       ]['S22-2'], digits, 'CCSDTBF12-CP-adz')
            #qcdb.compare_values(-4.2010, h2kc * df['SCSCCSD-CP-adz'         ]['S22-2'], digits, 'SCSCCSD-CP-adz')
            #qcdb.compare_values(-4.4638, h2kc * df['SCSMP2F12-CP-adz'       ]['S22-2'], digits, 'SCSMP2F12-CP-adz')
            #qcdb.compare_values(-4.9219, h2kc * df['DWCCSDTF12-CP-adz'      ]['S22-2'], digits, 'DWCCSDTF12-CP-adz')
            #qcdb.compare_values(-3.9295, h2kc * df['SCSMP2-CP-adz'          ]['S22-2'], digits, 'SCSMP2-CP-adz')
            #qcdb.compare_values(-4.8989, h2kc * df['DWMP2F12-CP-adz'        ]['S22-2'], digits, 'DWMP2F12-CP-adz')
            #qcdb.compare_values(-4.8725, h2kc * df['SCSCCSDAF12-CP-adz'     ]['S22-2'], digits, 'SCSCCSDAF12-CP-adz')
            #qcdb.compare_values(-4.3943, h2kc * df['MP2C-CP-adz'            ]['S22-2'], digits, 'MP2C-CP-adz')
            #qcdb.compare_values(-4.1530, h2kc * df['CCSD-CP-adz'            ]['S22-2'], digits, 'CCSD-CP-adz')
            #qcdb.compare_values(-3.5684, h2kc * df['HF-CP-adz'              ]['S22-2'], digits, 'HF-CP-adz')
            #qcdb.compare_values(-4.9233, h2kc * df['CCSDTAF12-CP-adz'       ]['S22-2'], digits, 'CCSDTAF12-CP-adz')
            #qcdb.compare_values(-4.3658, h2kc * df['MP2-CP-adz'             ]['S22-2'], digits, 'MP2-CP-adz')
            #qcdb.compare_values(-5.0526, h2kc * df['SCSNMP2F12-CP-adz'      ]['S22-2'], digits, 'SCSNMP2F12-CP-adz')
            #qcdb.compare_values(-4.3348, h2kc * df['MP25-CP-adz'            ]['S22-2'], digits, 'MP25-CP-adz')
            #qcdb.compare_values(-5.0344, h2kc * df['MP2CF12-CP-atqzhatz'    ]['S22-2'], digits, 'MP2CF12-CP-atqzhatz')
            #qcdb.compare_values(-5.0259, h2kc * df['MP2C-CP-atqzhatz'       ]['S22-2'], digits, 'MP2C-CP-atqzhatz')
            #qcdb.compare_values(-4.9567, h2kc * df['MP2CF12-CP-atzdz'       ]['S22-2'], digits, 'MP2CF12-CP-atzdz')
            #qcdb.compare_values(-4.6913, h2kc * df['MP2C-CP-atzdz'          ]['S22-2'], digits, 'MP2C-CP-atzdz')
            #qcdb.compare_values(-4.9484, h2kc * df['MP2CF12-CP-atzhadz'     ]['S22-2'], digits, 'MP2CF12-CP-atzhadz')
            #qcdb.compare_values(-4.6829, h2kc * df['MP2C-CP-atzhadz'        ]['S22-2'], digits, 'MP2C-CP-atzhadz')
            #qcdb.compare_values(-4.9644, h2kc * df['MP2CF12-CP-adtzhadz'    ]['S22-2'], digits, 'MP2CF12-CP-adtzhadz')
            #qcdb.compare_values(-4.8266, h2kc * df['MP2C-CP-adtzhadz'       ]['S22-2'], digits, 'MP2C-CP-adtzhadz')
            #qcdb.compare_values(-5.0598, h2kc * df['MP2CF12-CP-atzhadtz'    ]['S22-2'], digits, 'MP2CF12-CP-atzhadtz')
            #qcdb.compare_values(-4.7944, h2kc * df['MP2C-CP-atzhadtz'       ]['S22-2'], digits, 'MP2C-CP-atzhadtz')
            #qcdb.compare_values(-4.8754, h2kc * df['SCSMIMP2-CP-maqz'       ]['S22-2'], digits, 'SCSMIMP2-CP-maqz')
            #qcdb.compare_values(-4.7420, h2kc * df['DWMP2-CP-maqz'          ]['S22-2'], digits, 'DWMP2-CP-maqz')
            #qcdb.compare_values(-5.0023, h2kc * df['SCSNMP2-CP-maqz'        ]['S22-2'], digits, 'SCSNMP2-CP-maqz')
            #qcdb.compare_values(-4.2967, h2kc * df['SCSMP2-CP-maqz'         ]['S22-2'], digits, 'SCSMP2-CP-maqz')
            #qcdb.compare_values(-3.5801, h2kc * df['HF-CP-maqz'             ]['S22-2'], digits, 'HF-CP-maqz')
            #qcdb.compare_values(-4.7609, h2kc * df['MP2-CP-maqz'            ]['S22-2'], digits, 'MP2-CP-maqz')
            #qcdb.compare_values(-4.9560, h2kc * df['MP2CF12-CP-atqzhadz'    ]['S22-2'], digits, 'MP2CF12-CP-atqzhadz')
            #qcdb.compare_values(-4.9475, h2kc * df['MP2C-CP-atqzhadz'       ]['S22-2'], digits, 'MP2C-CP-atqzhadz')
            #qcdb.compare_values(-4.9695, h2kc * df['SCSMIMP2-CP-jadtz'      ]['S22-2'], digits, 'SCSMIMP2-CP-jadtz')
            #qcdb.compare_values(-4.8391, h2kc * df['DWMP2-CP-jadtz'         ]['S22-2'], digits, 'DWMP2-CP-jadtz')
            #qcdb.compare_values(-5.0979, h2kc * df['MP2CF12-CP-jadtz'       ]['S22-2'], digits, 'MP2CF12-CP-jadtz')
            #qcdb.compare_values(-5.0225, h2kc * df['MP2F12-CP-jadtz'        ]['S22-2'], digits, 'MP2F12-CP-jadtz')
            #qcdb.compare_values(-5.1135, h2kc * df['SCSNMP2-CP-jadtz'       ]['S22-2'], digits, 'SCSNMP2-CP-jadtz')
            #qcdb.compare_values(-4.5553, h2kc * df['SCSMP2F12-CP-jadtz'     ]['S22-2'], digits, 'SCSMP2F12-CP-jadtz')
            #qcdb.compare_values(-4.3530, h2kc * df['SCSMP2-CP-jadtz'        ]['S22-2'], digits, 'SCSMP2-CP-jadtz')
            #qcdb.compare_values(-5.0008, h2kc * df['DWMP2F12-CP-jadtz'      ]['S22-2'], digits, 'DWMP2F12-CP-jadtz')
            #qcdb.compare_values(-4.9355, h2kc * df['MP2C-CP-jadtz'          ]['S22-2'], digits, 'MP2C-CP-jadtz')
            #qcdb.compare_values(-4.8601, h2kc * df['MP2-CP-jadtz'           ]['S22-2'], digits, 'MP2-CP-jadtz')
            #qcdb.compare_values(-5.0240, h2kc * df['SCSMIMP2F12-CP-jadtz'   ]['S22-2'], digits, 'SCSMIMP2F12-CP-jadtz')
            #qcdb.compare_values(-5.1221, h2kc * df['SCSNMP2F12-CP-jadtz'    ]['S22-2'], digits, 'SCSNMP2F12-CP-jadtz')
            #qcdb.compare_values(-3.6777, h2kc * df['HFCABS-CP-jadz'         ]['S22-2'], digits, 'HFCABS-CP-jadz')
            #qcdb.compare_values(-4.1568, h2kc * df['DWMP2-CP-jadz'          ]['S22-2'], digits, 'DWMP2-CP-jadz')
            #qcdb.compare_values(-4.9536, h2kc * df['MP2CF12-CP-jadz'        ]['S22-2'], digits, 'MP2CF12-CP-jadz')
            #qcdb.compare_values(-4.9290, h2kc * df['MP2F12-CP-jadz'         ]['S22-2'], digits, 'MP2F12-CP-jadz')
            #qcdb.compare_values(-4.6734, h2kc * df['SCSNMP2-CP-jadz'        ]['S22-2'], digits, 'SCSNMP2-CP-jadz')
            #qcdb.compare_values(-4.5123, h2kc * df['SCSMP2F12-CP-jadz'      ]['S22-2'], digits, 'SCSMP2F12-CP-jadz')
            #qcdb.compare_values(-3.8112, h2kc * df['SCSMP2-CP-jadz'         ]['S22-2'], digits, 'SCSMP2-CP-jadz')
            #qcdb.compare_values(-4.9118, h2kc * df['DWMP2F12-CP-jadz'       ]['S22-2'], digits, 'DWMP2F12-CP-jadz')
            #qcdb.compare_values(-4.1892, h2kc * df['MP2C-CP-jadz'           ]['S22-2'], digits, 'MP2C-CP-jadz')
            #qcdb.compare_values(-3.8125, h2kc * df['HF-CP-jadz'             ]['S22-2'], digits, 'HF-CP-jadz')
            #qcdb.compare_values(-4.1647, h2kc * df['MP2-CP-jadz'            ]['S22-2'], digits, 'MP2-CP-jadz')
            #qcdb.compare_values(-5.0322, h2kc * df['SCSNMP2F12-CP-jadz'     ]['S22-2'], digits, 'SCSNMP2F12-CP-jadz')
            #qcdb.compare_values(-4.9850, h2kc * df['MP2CF12-CP-atqzjadz'    ]['S22-2'], digits, 'MP2CF12-CP-atqzjadz')
            #qcdb.compare_values(-4.9766, h2kc * df['MP2C-CP-atqzjadz'       ]['S22-2'], digits, 'MP2C-CP-atqzjadz')
            #qcdb.compare_values(-4.9124, h2kc * df['SCSMIMP2-CP-haqz'       ]['S22-2'], digits, 'SCSMIMP2-CP-haqz')
            #qcdb.compare_values(-4.8068, h2kc * df['DWMP2-CP-haqz'          ]['S22-2'], digits, 'DWMP2-CP-haqz')
            #qcdb.compare_values(-5.0280, h2kc * df['SCSNMP2-CP-haqz'        ]['S22-2'], digits, 'SCSNMP2-CP-haqz')
            #qcdb.compare_values(-4.3616, h2kc * df['SCSMP2-CP-haqz'         ]['S22-2'], digits, 'SCSMP2-CP-haqz')
            #qcdb.compare_values(-3.5761, h2kc * df['HF-CP-haqz'             ]['S22-2'], digits, 'HF-CP-haqz')
            #qcdb.compare_values(-4.8264, h2kc * df['MP2-CP-haqz'            ]['S22-2'], digits, 'MP2-CP-haqz')
            #qcdb.compare_values(-5.0208, h2kc * df['MP2CF12-CP-atqzjatz'    ]['S22-2'], digits, 'MP2CF12-CP-atqzjatz')
            #qcdb.compare_values(-5.0124, h2kc * df['MP2C-CP-atqzjatz'       ]['S22-2'], digits, 'MP2C-CP-atqzjatz')
            #qcdb.compare_values(-4.9838, h2kc * df['MP2CF12-CP-atqztz'      ]['S22-2'], digits, 'MP2CF12-CP-atqztz')
            #qcdb.compare_values(-4.9754, h2kc * df['MP2C-CP-atqztz'         ]['S22-2'], digits, 'MP2C-CP-atqztz')
            #qcdb.compare_values(-5.0506, h2kc * df['SCSMICCSD-CP-atqzadtz'  ]['S22-2'], digits, 'SCSMICCSD-CP-atqzadtz')
            #qcdb.compare_values(-4.9609, h2kc * df['MP3-CP-atqzadtz'        ]['S22-2'], digits, 'MP3-CP-atqzadtz')
            #qcdb.compare_values(-5.0881, h2kc * df['MP2CF12-CP-atqzadtz'    ]['S22-2'], digits, 'MP2CF12-CP-atqzadtz')
            #qcdb.compare_values(-5.0250, h2kc * df['CCSDT-CP-atqzadtz'      ]['S22-2'], digits, 'CCSDT-CP-atqzadtz')
            #qcdb.compare_values(-4.9353, h2kc * df['SCSCCSD-CP-atqzadtz'    ]['S22-2'], digits, 'SCSCCSD-CP-atqzadtz')
            #qcdb.compare_values(-5.0797, h2kc * df['MP2C-CP-atqzadtz'       ]['S22-2'], digits, 'MP2C-CP-atqzadtz')
            #qcdb.compare_values(-4.7698, h2kc * df['CCSD-CP-atqzadtz'       ]['S22-2'], digits, 'CCSD-CP-atqzadtz')
            #qcdb.compare_values(-4.9565, h2kc * df['MP25-CP-atqzadtz'       ]['S22-2'], digits, 'MP25-CP-atqzadtz')
            #qcdb.compare_values(-3.5482, h2kc * df['HFCABS-CP-tz'           ]['S22-2'], digits, 'HFCABS-CP-tz')
            #qcdb.compare_values(-4.8237, h2kc * df['SCSMIMP2-CP-tz'         ]['S22-2'], digits, 'SCSMIMP2-CP-tz')
            #qcdb.compare_values(-4.4167, h2kc * df['DWMP2-CP-tz'            ]['S22-2'], digits, 'DWMP2-CP-tz')
            #qcdb.compare_values(-4.8901, h2kc * df['MP2CF12-CP-tz'          ]['S22-2'], digits, 'MP2CF12-CP-tz')
            #qcdb.compare_values(-4.8667, h2kc * df['MP2F12-CP-tz'           ]['S22-2'], digits, 'MP2F12-CP-tz')
            #qcdb.compare_values(-4.8023, h2kc * df['SCSNMP2-CP-tz'          ]['S22-2'], digits, 'SCSNMP2-CP-tz')
            #qcdb.compare_values(-4.4302, h2kc * df['SCSMP2F12-CP-tz'        ]['S22-2'], digits, 'SCSMP2F12-CP-tz')
            #qcdb.compare_values(-3.9927, h2kc * df['SCSMP2-CP-tz'           ]['S22-2'], digits, 'SCSMP2-CP-tz')
            #qcdb.compare_values(-4.8475, h2kc * df['DWMP2F12-CP-tz'         ]['S22-2'], digits, 'DWMP2F12-CP-tz')
            #qcdb.compare_values(-4.4548, h2kc * df['MP2C-CP-tz'             ]['S22-2'], digits, 'MP2C-CP-tz')
            #qcdb.compare_values(-3.5551, h2kc * df['HF-CP-tz'               ]['S22-2'], digits, 'HF-CP-tz')
            #qcdb.compare_values(-4.4315, h2kc * df['MP2-CP-tz'              ]['S22-2'], digits, 'MP2-CP-tz')
            #qcdb.compare_values(-5.0491, h2kc * df['SCSMIMP2F12-CP-tz'      ]['S22-2'], digits, 'SCSMIMP2F12-CP-tz')
            #qcdb.compare_values(-4.9704, h2kc * df['SCSNMP2F12-CP-tz'       ]['S22-2'], digits, 'SCSNMP2F12-CP-tz')
            #qcdb.compare_values(-4.9242, h2kc * df['SCSMIMP2-CP-adtz'       ]['S22-2'], digits, 'SCSMIMP2-CP-adtz')
            #qcdb.compare_values(-4.8104, h2kc * df['DWMP2-CP-adtz'          ]['S22-2'], digits, 'DWMP2-CP-adtz')
            #qcdb.compare_values(-4.9298, h2kc * df['SCSMICCSD-CP-adtz'      ]['S22-2'], digits, 'SCSMICCSD-CP-adtz')
            #qcdb.compare_values(-4.8400, h2kc * df['MP3-CP-adtz'            ]['S22-2'], digits, 'MP3-CP-adtz')
            #qcdb.compare_values(-5.0965, h2kc * df['MP2CF12-CP-adtz'        ]['S22-2'], digits, 'MP2CF12-CP-adtz')
            #qcdb.compare_values(-4.9690, h2kc * df['MP2F12-CP-adtz'         ]['S22-2'], digits, 'MP2F12-CP-adtz')
            #qcdb.compare_values(-4.9042, h2kc * df['CCSDT-CP-adtz'          ]['S22-2'], digits, 'CCSDT-CP-adtz')
            #qcdb.compare_values(-5.0583, h2kc * df['SCSNMP2-CP-adtz'        ]['S22-2'], digits, 'SCSNMP2-CP-adtz')
            #qcdb.compare_values(-4.8146, h2kc * df['SCSCCSD-CP-adtz'        ]['S22-2'], digits, 'SCSCCSD-CP-adtz')
            #qcdb.compare_values(-4.5139, h2kc * df['SCSMP2F12-CP-adtz'      ]['S22-2'], digits, 'SCSMP2F12-CP-adtz')
            #qcdb.compare_values(-4.3444, h2kc * df['SCSMP2-CP-adtz'         ]['S22-2'], digits, 'SCSMP2-CP-adtz')
            #qcdb.compare_values(-4.9483, h2kc * df['DWMP2F12-CP-adtz'       ]['S22-2'], digits, 'DWMP2F12-CP-adtz')
            #qcdb.compare_values(-4.9588, h2kc * df['MP2C-CP-adtz'           ]['S22-2'], digits, 'MP2C-CP-adtz')
            #qcdb.compare_values(-4.6490, h2kc * df['CCSD-CP-adtz'           ]['S22-2'], digits, 'CCSD-CP-adtz')
            #qcdb.compare_values(-4.8312, h2kc * df['MP2-CP-adtz'            ]['S22-2'], digits, 'MP2-CP-adtz')
            #qcdb.compare_values(-4.9734, h2kc * df['SCSMIMP2F12-CP-adtz'    ]['S22-2'], digits, 'SCSMIMP2F12-CP-adtz')
            #qcdb.compare_values(-5.0699, h2kc * df['SCSNMP2F12-CP-adtz'     ]['S22-2'], digits, 'SCSNMP2F12-CP-adtz')
            #qcdb.compare_values(-4.8356, h2kc * df['MP25-CP-adtz'           ]['S22-2'], digits, 'MP25-CP-adtz')
            #qcdb.compare_values(-3.5850, h2kc * df['HFCABS-CP-aqz'          ]['S22-2'], digits, 'HFCABS-CP-aqz')
            #qcdb.compare_values(-4.9367, h2kc * df['SCSMIMP2-CP-aqz'        ]['S22-2'], digits, 'SCSMIMP2-CP-aqz')
            #qcdb.compare_values(-4.8359, h2kc * df['DWMP2-CP-aqz'           ]['S22-2'], digits, 'DWMP2-CP-aqz')
            #qcdb.compare_values(-5.0764, h2kc * df['MP2CF12-CP-aqz'         ]['S22-2'], digits, 'MP2CF12-CP-aqz')
            #qcdb.compare_values(-4.9582, h2kc * df['MP2F12-CP-aqz'          ]['S22-2'], digits, 'MP2F12-CP-aqz')
            #qcdb.compare_values(-5.0507, h2kc * df['SCSNMP2-CP-aqz'         ]['S22-2'], digits, 'SCSNMP2-CP-aqz')
            #qcdb.compare_values(-4.5023, h2kc * df['SCSMP2F12-CP-aqz'       ]['S22-2'], digits, 'SCSMP2F12-CP-aqz')
            #qcdb.compare_values(-4.3884, h2kc * df['SCSMP2-CP-aqz'          ]['S22-2'], digits, 'SCSMP2-CP-aqz')
            #qcdb.compare_values(-4.9376, h2kc * df['DWMP2F12-CP-aqz'        ]['S22-2'], digits, 'DWMP2F12-CP-aqz')
            #qcdb.compare_values(-4.9741, h2kc * df['MP2C-CP-aqz'            ]['S22-2'], digits, 'MP2C-CP-aqz')
            #qcdb.compare_values(-3.5853, h2kc * df['HF-CP-aqz'              ]['S22-2'], digits, 'HF-CP-aqz')
            #qcdb.compare_values(-4.8559, h2kc * df['MP2-CP-aqz'             ]['S22-2'], digits, 'MP2-CP-aqz')
            #qcdb.compare_values(-4.9799, h2kc * df['SCSMIMP2F12-CP-aqz'     ]['S22-2'], digits, 'SCSMIMP2F12-CP-aqz')
            #qcdb.compare_values(-5.0684, h2kc * df['SCSNMP2F12-CP-aqz'      ]['S22-2'], digits, 'SCSNMP2F12-CP-aqz')
            #qcdb.compare_values(-3.5918, h2kc * df['HFCABS-CP-hatz'         ]['S22-2'], digits, 'HFCABS-CP-hatz')
            #qcdb.compare_values(-4.9905, h2kc * df['SCSMIMP2-CP-hatz'       ]['S22-2'], digits, 'SCSMIMP2-CP-hatz')
            #qcdb.compare_values(-4.6374, h2kc * df['DWMP2-CP-hatz'          ]['S22-2'], digits, 'DWMP2-CP-hatz')
            #qcdb.compare_values(-5.0402, h2kc * df['MP2CF12-CP-hatz'        ]['S22-2'], digits, 'MP2CF12-CP-hatz')
            #qcdb.compare_values(-4.9664, h2kc * df['MP2F12-CP-hatz'         ]['S22-2'], digits, 'MP2F12-CP-hatz')
            #qcdb.compare_values(-4.9449, h2kc * df['SCSNMP2-CP-hatz'        ]['S22-2'], digits, 'SCSNMP2-CP-hatz')
            #qcdb.compare_values(-4.5127, h2kc * df['SCSMP2F12-CP-hatz'      ]['S22-2'], digits, 'SCSMP2F12-CP-hatz')
            #qcdb.compare_values(-4.1887, h2kc * df['SCSMP2-CP-hatz'         ]['S22-2'], digits, 'SCSMP2-CP-hatz')
            #qcdb.compare_values(-4.9459, h2kc * df['DWMP2F12-CP-hatz'       ]['S22-2'], digits, 'DWMP2F12-CP-hatz')
            #qcdb.compare_values(-4.7295, h2kc * df['MP2C-CP-hatz'           ]['S22-2'], digits, 'MP2C-CP-hatz')
            #qcdb.compare_values(-3.5459, h2kc * df['HF-CP-hatz'             ]['S22-2'], digits, 'HF-CP-hatz')
            #qcdb.compare_values(-4.6557, h2kc * df['MP2-CP-hatz'            ]['S22-2'], digits, 'MP2-CP-hatz')
            #qcdb.compare_values(-5.1537, h2kc * df['SCSMIMP2F12-CP-hatz'    ]['S22-2'], digits, 'SCSMIMP2F12-CP-hatz')
            #qcdb.compare_values(-5.0713, h2kc * df['SCSNMP2F12-CP-hatz'     ]['S22-2'], digits, 'SCSNMP2F12-CP-hatz')
            #qcdb.compare_values(-4.9921, h2kc * df['MP2CF12-CP-atqzdtz'     ]['S22-2'], digits, 'MP2CF12-CP-atqzdtz')
            #qcdb.compare_values(-4.9836, h2kc * df['MP2C-CP-atqzdtz'        ]['S22-2'], digits, 'MP2C-CP-atqzdtz')
            #qcdb.compare_values(-3.5923, h2kc * df['HFCABS-CP-jatz'         ]['S22-2'], digits, 'HFCABS-CP-jatz')
            #qcdb.compare_values(-4.9419, h2kc * df['SCSMIMP2-CP-jatz'       ]['S22-2'], digits, 'SCSMIMP2-CP-jatz')
            #qcdb.compare_values(-4.5600, h2kc * df['DWMP2-CP-jatz'          ]['S22-2'], digits, 'DWMP2-CP-jatz')
            #qcdb.compare_values(-5.0298, h2kc * df['MP2CF12-CP-jatz'        ]['S22-2'], digits, 'MP2CF12-CP-jatz')
            #qcdb.compare_values(-4.9695, h2kc * df['MP2F12-CP-jatz'         ]['S22-2'], digits, 'MP2F12-CP-jatz')
            #qcdb.compare_values(-4.9061, h2kc * df['SCSNMP2-CP-jatz'        ]['S22-2'], digits, 'SCSNMP2-CP-jatz')
            #qcdb.compare_values(-4.5172, h2kc * df['SCSMP2F12-CP-jatz'      ]['S22-2'], digits, 'SCSMP2F12-CP-jatz')
            #qcdb.compare_values(-4.1155, h2kc * df['SCSMP2-CP-jatz'         ]['S22-2'], digits, 'SCSMP2-CP-jatz')
            #qcdb.compare_values(-4.9491, h2kc * df['DWMP2F12-CP-jatz'       ]['S22-2'], digits, 'DWMP2F12-CP-jatz')
            #qcdb.compare_values(-4.6374, h2kc * df['MP2C-CP-jatz'           ]['S22-2'], digits, 'MP2C-CP-jatz')
            #qcdb.compare_values(-3.5527, h2kc * df['HF-CP-jatz'             ]['S22-2'], digits, 'HF-CP-jatz')
            #qcdb.compare_values(-4.5771, h2kc * df['MP2-CP-jatz'            ]['S22-2'], digits, 'MP2-CP-jatz')
            #qcdb.compare_values(-5.1531, h2kc * df['SCSMIMP2F12-CP-jatz'    ]['S22-2'], digits, 'SCSMIMP2F12-CP-jatz')
            #qcdb.compare_values(-5.0701, h2kc * df['SCSNMP2F12-CP-jatz'     ]['S22-2'], digits, 'SCSNMP2F12-CP-jatz')
            #qcdb.compare_values(-5.0283, h2kc * df['MP2CF12-CP-atzjadtz'    ]['S22-2'], digits, 'MP2CF12-CP-atzjadtz')
            #qcdb.compare_values(-4.7629, h2kc * df['MP2C-CP-atzjadtz'       ]['S22-2'], digits, 'MP2C-CP-atzjadtz')
            #qcdb.compare_values(-4.9964, h2kc * df['MP2CF12-CP-atqzmatz'    ]['S22-2'], digits, 'MP2CF12-CP-atqzmatz')
            #qcdb.compare_values(-4.9880, h2kc * df['MP2C-CP-atqzmatz'       ]['S22-2'], digits, 'MP2C-CP-atqzmatz')
            #qcdb.compare_values(-4.9935, h2kc * df['MP2CF12-CP-adtzjadz'    ]['S22-2'], digits, 'MP2CF12-CP-adtzjadz')
            #qcdb.compare_values(-4.8557, h2kc * df['MP2C-CP-adtzjadz'       ]['S22-2'], digits, 'MP2C-CP-adtzjadz')
            #qcdb.compare_values(-4.7415, h2kc * df['CCSDAF12-CP-atqzadz'    ]['S22-2'], digits, 'CCSDAF12-CP-atqzadz')
            #qcdb.compare_values(-5.0192, h2kc * df['SCMICCSDAF12-CP-atqzadz']['S22-2'], digits, 'SCMICCSDAF12-CP-atqzadz')
            #qcdb.compare_values(-4.9475, h2kc * df['SCMICCSDBF12-CP-atqzadz']['S22-2'], digits, 'SCMICCSDBF12-CP-atqzadz')
            #qcdb.compare_values(-4.9371, h2kc * df['SCSMICCSD-CP-atqzadz'   ]['S22-2'], digits, 'SCSMICCSD-CP-atqzadz')
            #qcdb.compare_values(-4.8901, h2kc * df['MP3-CP-atqzadz'         ]['S22-2'], digits, 'MP3-CP-atqzadz')
            #qcdb.compare_values(-4.9890, h2kc * df['MP2CF12-CP-atqzadz'     ]['S22-2'], digits, 'MP2CF12-CP-atqzadz')
            #qcdb.compare_values(-4.8376, h2kc * df['SCSCCSDBF12-CP-atqzadz' ]['S22-2'], digits, 'SCSCCSDBF12-CP-atqzadz')
            #qcdb.compare_values(-4.9179, h2kc * df['CCSDT-CP-atqzadz'       ]['S22-2'], digits, 'CCSDT-CP-atqzadz')
            #qcdb.compare_values(-4.6795, h2kc * df['CCSDBF12-CP-atqzadz'    ]['S22-2'], digits, 'CCSDBF12-CP-atqzadz')
            #qcdb.compare_values(-4.9028, h2kc * df['CCSDTBF12-CP-atqzadz'   ]['S22-2'], digits, 'CCSDTBF12-CP-atqzadz')
            #qcdb.compare_values(-4.7873, h2kc * df['SCSCCSD-CP-atqzadz'     ]['S22-2'], digits, 'SCSCCSD-CP-atqzadz')
            #qcdb.compare_values(-4.9635, h2kc * df['DWCCSDTF12-CP-atqzadz'  ]['S22-2'], digits, 'DWCCSDTF12-CP-atqzadz')
            #qcdb.compare_values(-4.9141, h2kc * df['SCSCCSDAF12-CP-atqzadz' ]['S22-2'], digits, 'SCSCCSDAF12-CP-atqzadz')
            #qcdb.compare_values(-4.9806, h2kc * df['MP2C-CP-atqzadz'        ]['S22-2'], digits, 'MP2C-CP-atqzadz')
            #qcdb.compare_values(-4.7393, h2kc * df['CCSD-CP-atqzadz'        ]['S22-2'], digits, 'CCSD-CP-atqzadz')
            #qcdb.compare_values(-4.9648, h2kc * df['CCSDTAF12-CP-atqzadz'   ]['S22-2'], digits, 'CCSDTAF12-CP-atqzadz')
            #qcdb.compare_values(-4.9211, h2kc * df['MP25-CP-atqzadz'        ]['S22-2'], digits, 'MP25-CP-atqzadz')
            #qcdb.compare_values(-4.8895, h2kc * df['SCSMIMP2-CP-atqz'       ]['S22-2'], digits, 'SCSMIMP2-CP-atqz')
            #qcdb.compare_values(-4.9313, h2kc * df['DWMP2-CP-atqz'          ]['S22-2'], digits, 'DWMP2-CP-atqz')
            #qcdb.compare_values(-5.0934, h2kc * df['MP2CF12-CP-atqz'        ]['S22-2'], digits, 'MP2CF12-CP-atqz')
            #qcdb.compare_values(-4.9605, h2kc * df['MP2F12-CP-atqz'         ]['S22-2'], digits, 'MP2F12-CP-atqz')
            #qcdb.compare_values(-5.0833, h2kc * df['SCSNMP2-CP-atqz'        ]['S22-2'], digits, 'SCSNMP2-CP-atqz')
            #qcdb.compare_values(-4.5042, h2kc * df['SCSMP2F12-CP-atqz'      ]['S22-2'], digits, 'SCSMP2F12-CP-atqz')
            #qcdb.compare_values(-4.4878, h2kc * df['SCSMP2-CP-atqz'         ]['S22-2'], digits, 'SCSMP2-CP-atqz')
            #qcdb.compare_values(-4.9399, h2kc * df['DWMP2F12-CP-atqz'       ]['S22-2'], digits, 'DWMP2F12-CP-atqz')
            #qcdb.compare_values(-5.0850, h2kc * df['MP2C-CP-atqz'           ]['S22-2'], digits, 'MP2C-CP-atqz')
            #qcdb.compare_values(-4.9521, h2kc * df['MP2-CP-atqz'            ]['S22-2'], digits, 'MP2-CP-atqz')
            #qcdb.compare_values(-4.8864, h2kc * df['SCSMIMP2F12-CP-atqz'    ]['S22-2'], digits, 'SCSMIMP2F12-CP-atqz')
            #qcdb.compare_values(-5.0704, h2kc * df['SCSNMP2F12-CP-atqz'     ]['S22-2'], digits, 'SCSNMP2F12-CP-atqz')
            #qcdb.compare_values(-3.5288, h2kc * df['HFCABS-CP-dz'           ]['S22-2'], digits, 'HFCABS-CP-dz')
            #qcdb.compare_values(-3.9257, h2kc * df['DWMP2-CP-dz'            ]['S22-2'], digits, 'DWMP2-CP-dz')
            #qcdb.compare_values(-4.7299, h2kc * df['MP2CF12-CP-dz'          ]['S22-2'], digits, 'MP2CF12-CP-dz')
            #qcdb.compare_values(-4.7261, h2kc * df['MP2F12-CP-dz'           ]['S22-2'], digits, 'MP2F12-CP-dz')
            #qcdb.compare_values(-4.4764, h2kc * df['SCSNMP2-CP-dz'          ]['S22-2'], digits, 'SCSNMP2-CP-dz')
            #qcdb.compare_values(-4.3144, h2kc * df['SCSMP2F12-CP-dz'        ]['S22-2'], digits, 'SCSMP2F12-CP-dz')
            #qcdb.compare_values(-3.5913, h2kc * df['SCSMP2-CP-dz'           ]['S22-2'], digits, 'SCSMP2-CP-dz')
            #qcdb.compare_values(-4.7091, h2kc * df['DWMP2F12-CP-dz'         ]['S22-2'], digits, 'DWMP2F12-CP-dz')
            #qcdb.compare_values(-3.9365, h2kc * df['MP2C-CP-dz'             ]['S22-2'], digits, 'MP2C-CP-dz')
            #qcdb.compare_values(-3.6811, h2kc * df['HF-CP-dz'               ]['S22-2'], digits, 'HF-CP-dz')
            #qcdb.compare_values(-3.9327, h2kc * df['MP2-CP-dz'              ]['S22-2'], digits, 'MP2-CP-dz')
            #qcdb.compare_values(-4.8511, h2kc * df['SCSNMP2F12-CP-dz'       ]['S22-2'], digits, 'SCSNMP2F12-CP-dz')
            #qcdb.compare_values(-4.7860, h2kc * df['SCSMICCSD-CP-atzadtz'   ]['S22-2'], digits, 'SCSMICCSD-CP-atzadtz')
            #qcdb.compare_values(-4.6963, h2kc * df['MP3-CP-atzadtz'         ]['S22-2'], digits, 'MP3-CP-atzadtz')
            #qcdb.compare_values(-5.0805, h2kc * df['MP2CF12-CP-atzadtz'     ]['S22-2'], digits, 'MP2CF12-CP-atzadtz')
            #qcdb.compare_values(-4.7604, h2kc * df['CCSDT-CP-atzadtz'       ]['S22-2'], digits, 'CCSDT-CP-atzadtz')
            #qcdb.compare_values(-4.6708, h2kc * df['SCSCCSD-CP-atzadtz'     ]['S22-2'], digits, 'SCSCCSD-CP-atzadtz')
            #qcdb.compare_values(-4.8151, h2kc * df['MP2C-CP-atzadtz'        ]['S22-2'], digits, 'MP2C-CP-atzadtz')
            #qcdb.compare_values(-4.5052, h2kc * df['CCSD-CP-atzadtz'        ]['S22-2'], digits, 'CCSD-CP-atzadtz')
            #qcdb.compare_values(-4.6919, h2kc * df['MP25-CP-atzadtz'        ]['S22-2'], digits, 'MP25-CP-atzadtz')
            #qcdb.compare_values(-4.9643, h2kc * df['MP2CF12-CP-atqzdz'      ]['S22-2'], digits, 'MP2CF12-CP-atqzdz')
            #qcdb.compare_values(-4.9559, h2kc * df['MP2C-CP-atqzdz'         ]['S22-2'], digits, 'MP2C-CP-atqzdz')
            #qcdb.compare_values(-4.9774, h2kc * df['MP2CF12-CP-atzjadz'     ]['S22-2'], digits, 'MP2CF12-CP-atzjadz')
            #qcdb.compare_values(-4.7120, h2kc * df['MP2C-CP-atzjadz'        ]['S22-2'], digits, 'MP2C-CP-atzjadz')
            #qcdb.compare_values(-3.6132, h2kc * df['HFCABS-CP-matz'         ]['S22-2'], digits, 'HFCABS-CP-matz')
            #qcdb.compare_values(-4.8938, h2kc * df['SCSMIMP2-CP-matz'       ]['S22-2'], digits, 'SCSMIMP2-CP-matz')
            #qcdb.compare_values(-4.4971, h2kc * df['DWMP2-CP-matz'          ]['S22-2'], digits, 'DWMP2-CP-matz')
            #qcdb.compare_values(-4.9975, h2kc * df['MP2CF12-CP-matz'        ]['S22-2'], digits, 'MP2CF12-CP-matz')
            #qcdb.compare_values(-4.9616, h2kc * df['MP2F12-CP-matz'         ]['S22-2'], digits, 'MP2F12-CP-matz')
            #qcdb.compare_values(-4.8677, h2kc * df['SCSNMP2-CP-matz'        ]['S22-2'], digits, 'SCSNMP2-CP-matz')
            #qcdb.compare_values(-4.5202, h2kc * df['SCSMP2F12-CP-matz'      ]['S22-2'], digits, 'SCSMP2F12-CP-matz')
            #qcdb.compare_values(-4.0680, h2kc * df['SCSMP2-CP-matz'         ]['S22-2'], digits, 'SCSMP2-CP-matz')
            #qcdb.compare_values(-4.9420, h2kc * df['DWMP2F12-CP-matz'       ]['S22-2'], digits, 'DWMP2F12-CP-matz')
            #qcdb.compare_values(-4.5484, h2kc * df['MP2C-CP-matz'           ]['S22-2'], digits, 'MP2C-CP-matz')
            #qcdb.compare_values(-3.5905, h2kc * df['HF-CP-matz'             ]['S22-2'], digits, 'HF-CP-matz')
            #qcdb.compare_values(-4.5125, h2kc * df['MP2-CP-matz'            ]['S22-2'], digits, 'MP2-CP-matz')
            #qcdb.compare_values(-5.1387, h2kc * df['SCSMIMP2F12-CP-matz'    ]['S22-2'], digits, 'SCSMIMP2F12-CP-matz')
            #qcdb.compare_values(-5.0571, h2kc * df['SCSNMP2F12-CP-matz'     ]['S22-2'], digits, 'SCSNMP2F12-CP-matz')
            #qcdb.compare_values(-4.8621, h2kc * df['SCSMIMP2-CP-tqz'        ]['S22-2'], digits, 'SCSMIMP2-CP-tqz')
            #qcdb.compare_values(-4.8818, h2kc * df['DWMP2-CP-tqz'           ]['S22-2'], digits, 'DWMP2-CP-tqz')
            #qcdb.compare_values(-5.0700, h2kc * df['SCSNMP2-CP-tqz'         ]['S22-2'], digits, 'SCSNMP2-CP-tqz')
            #qcdb.compare_values(-4.4322, h2kc * df['SCSMP2-CP-tqz'          ]['S22-2'], digits, 'SCSMP2-CP-tqz')
            #qcdb.compare_values(-4.9022, h2kc * df['MP2-CP-tqz'             ]['S22-2'], digits, 'MP2-CP-tqz')
            #qcdb.compare_values(-4.8770, h2kc * df['SCSMIMP2-CP-aaqz'       ]['S22-2'], digits, 'SCSMIMP2-CP-aaqz')
            #qcdb.compare_values(-4.7402, h2kc * df['DWMP2-CP-aaqz'          ]['S22-2'], digits, 'DWMP2-CP-aaqz')
            #qcdb.compare_values(-5.0049, h2kc * df['SCSNMP2-CP-aaqz'        ]['S22-2'], digits, 'SCSNMP2-CP-aaqz')
            #qcdb.compare_values(-4.2978, h2kc * df['SCSMP2-CP-aaqz'         ]['S22-2'], digits, 'SCSMP2-CP-aaqz')
            #qcdb.compare_values(-3.5971, h2kc * df['HF-CP-aaqz'             ]['S22-2'], digits, 'HF-CP-aaqz')
            #qcdb.compare_values(-4.7587, h2kc * df['MP2-CP-aaqz'            ]['S22-2'], digits, 'MP2-CP-aaqz')
            #qcdb.compare_values(-4.8411, h2kc * df['SCSMIMP2-CP-dtz'        ]['S22-2'], digits, 'SCSMIMP2-CP-dtz')
            #qcdb.compare_values(-4.6765, h2kc * df['DWMP2-CP-dtz'           ]['S22-2'], digits, 'DWMP2-CP-dtz')
            #qcdb.compare_values(-4.9493, h2kc * df['MP2CF12-CP-dtz'         ]['S22-2'], digits, 'MP2CF12-CP-dtz')
            #qcdb.compare_values(-4.9178, h2kc * df['MP2F12-CP-dtz'          ]['S22-2'], digits, 'MP2F12-CP-dtz')
            #qcdb.compare_values(-4.9925, h2kc * df['SCSNMP2-CP-dtz'         ]['S22-2'], digits, 'SCSNMP2-CP-dtz')
            #qcdb.compare_values(-4.4707, h2kc * df['SCSMP2F12-CP-dtz'       ]['S22-2'], digits, 'SCSMP2F12-CP-dtz')
            #qcdb.compare_values(-4.2147, h2kc * df['SCSMP2-CP-dtz'          ]['S22-2'], digits, 'SCSMP2-CP-dtz')
            #qcdb.compare_values(-4.8976, h2kc * df['DWMP2F12-CP-dtz'        ]['S22-2'], digits, 'DWMP2F12-CP-dtz')
            #qcdb.compare_values(-4.7261, h2kc * df['MP2C-CP-dtz'            ]['S22-2'], digits, 'MP2C-CP-dtz')
            #qcdb.compare_values(-4.6946, h2kc * df['MP2-CP-dtz'             ]['S22-2'], digits, 'MP2-CP-dtz')
            #qcdb.compare_values(-4.9187, h2kc * df['SCSMIMP2F12-CP-dtz'     ]['S22-2'], digits, 'SCSMIMP2F12-CP-dtz')
            #qcdb.compare_values(-5.0124, h2kc * df['SCSNMP2F12-CP-dtz'      ]['S22-2'], digits, 'SCSNMP2F12-CP-dtz')
            #qcdb.compare_values(-5.0825, h2kc * df['MP2C-CP-aq5zadtz'       ]['S22-2'], digits, 'MP2C-CP-aq5zadtz')
            #qcdb.compare_values(-5.0531, h2kc * df['MP2C-CP-aq5zatz'        ]['S22-2'], digits, 'MP2C-CP-aq5zatz')
            #qcdb.compare_values(-4.9341, h2kc * df['DWMP2-CP-aq5z'          ]['S22-2'], digits, 'DWMP2-CP-aq5z')
            #qcdb.compare_values(-5.0752, h2kc * df['SCSNMP2-CP-aq5z'        ]['S22-2'], digits, 'SCSNMP2-CP-aq5z')
            #qcdb.compare_values(-4.4950, h2kc * df['SCSMP2-CP-aq5z'         ]['S22-2'], digits, 'SCSMP2-CP-aq5z')
            #qcdb.compare_values(-4.9549, h2kc * df['MP2-CP-aq5z'            ]['S22-2'], digits, 'MP2-CP-aq5z')
            #qcdb.compare_values(-4.8836, h2kc * df['DWMP2-CP-a5z'           ]['S22-2'], digits, 'DWMP2-CP-a5z')
            #qcdb.compare_values(-5.0624, h2kc * df['SCSNMP2-CP-a5z'         ]['S22-2'], digits, 'SCSNMP2-CP-a5z')
            #qcdb.compare_values(-4.4401, h2kc * df['SCSMP2-CP-a5z'          ]['S22-2'], digits, 'SCSMP2-CP-a5z')
            #qcdb.compare_values(-3.5848, h2kc * df['HF-CP-a5z'              ]['S22-2'], digits, 'HF-CP-a5z')
            #qcdb.compare_values(-4.9039, h2kc * df['MP2-CP-a5z'             ]['S22-2'], digits, 'MP2-CP-a5z')
            #qcdb.compare_values(-4.9834, h2kc * df['MP2C-CP-aq5zadz'        ]['S22-2'], digits, 'MP2C-CP-aq5zadz')
            #qcdb.compare_values(-4.9198, h2kc * df['MP2F12-CP-dzf12'        ]['S22-2'], digits, 'MP2F12-CP-dzf12')
            #qcdb.compare_values(-4.4683, h2kc * df['SCSMP2F12-CP-dzf12'     ]['S22-2'], digits, 'SCSMP2F12-CP-dzf12')
            #qcdb.compare_values(-5.0435, h2kc * df['SCSNMP2F12-CP-dzf12'    ]['S22-2'], digits, 'SCSNMP2F12-CP-dzf12')
            #qcdb.compare_values(-4.8998, h2kc * df['DWMP2F12-CP-dzf12'      ]['S22-2'], digits, 'DWMP2F12-CP-dzf12')
            #qcdb.compare_values(-4.9395, h2kc * df['MP2F12-CP-tzf12'        ]['S22-2'], digits, 'MP2F12-CP-tzf12')
            #qcdb.compare_values(-4.4848, h2kc * df['SCSMP2F12-CP-tzf12'     ]['S22-2'], digits, 'SCSMP2F12-CP-tzf12')
            #qcdb.compare_values(-5.0572, h2kc * df['SCSNMP2F12-CP-tzf12'    ]['S22-2'], digits, 'SCSNMP2F12-CP-tzf12')
            #qcdb.compare_values(-5.1371, h2kc * df['SCSMIMP2F12-CP-tzf12'   ]['S22-2'], digits, 'SCSMIMP2F12-CP-tzf12')
            #qcdb.compare_values(-4.9192, h2kc * df['DWMP2F12-CP-tzf12'      ]['S22-2'], digits, 'DWMP2F12-CP-tzf12')

        elif False: # alpha 1 era, I believe (Aug 2017)
        #elif project == 'saptone':
            print("""\n        Checks from saptone project:\n""")
            digits = 4

            # SAPT-DFT
            qcdb.compare_values(-4.3034, h2kc * df['SAPTDFT-SA-adz'  ]['S22-2'], digits, 'SAPTDFT-SA-adz')
            qcdb.compare_values(-4.6994, h2kc * df['SAPTDFT-SA-atz'  ]['S22-2'], digits, 'SAPTDFT-SA-atz')
            qcdb.compare_values(-4.8234, h2kc * df['SAPTDFT-SA-aqz'  ]['S22-2'], digits, 'SAPTDFT-SA-aqz')

            # SAPT0
            qcdb.compare_values(-5.3837, h2kc * df['SAPT0-SA-adz'    ]['S22-2'], digits, 'SAPT0-SA-adz')
            qcdb.compare_values(-5.6258, h2kc * df['SAPT0-SA-atz'    ]['S22-2'], digits, 'SAPT0-SA-atz')
            qcdb.compare_values(-5.7281, h2kc * df['SAPT0-SA-aqz'    ]['S22-2'], digits, 'SAPT0-SA-aqz')
            qcdb.compare_values(-5.7476, h2kc * df['SAPT0-SA-a5z'    ]['S22-2'], digits, 'SAPT0-SA-a5z')

            # sSAPT0
            qcdb.compare_values(-5.3440, h2kc * df['SAPT0S-SA-adz'   ]['S22-2'], digits, 'SAPT0S-SA-adz')
            qcdb.compare_values(-5.5828, h2kc * df['SAPT0S-SA-atz'   ]['S22-2'], digits, 'SAPT0S-SA-atz')
            qcdb.compare_values(-5.6852, h2kc * df['SAPT0S-SA-aqz'   ]['S22-2'], digits, 'SAPT0S-SA-aqz')
            qcdb.compare_values(-5.7045, h2kc * df['SAPT0S-SA-a5z'   ]['S22-2'], digits, 'SAPT0S-SA-a5z')

            # SCS-SAPT0
            qcdb.compare_values(-5.2855, h2kc * df['SAPTSCS-SA-adz'  ]['S22-2'], digits, 'SAPTSCS-SA-adz')
            qcdb.compare_values(-5.5244, h2kc * df['SAPTSCS-SA-atz'  ]['S22-2'], digits, 'SAPTSCS-SA-atz')
            qcdb.compare_values(-5.6297, h2kc * df['SAPTSCS-SA-aqz'  ]['S22-2'], digits, 'SAPTSCS-SA-aqz')
            qcdb.compare_values(-5.6508, h2kc * df['SAPTSCS-SA-a5z'  ]['S22-2'], digits, 'SAPTSCS-SA-a5z')

            # SAPT2
            qcdb.compare_values(-4.2041, h2kc * df['SAPT2-SA-adz'    ]['S22-2'], digits, 'SAPT2-SA-adz')
            qcdb.compare_values(-4.6311, h2kc * df['SAPT2-SA-atz'    ]['S22-2'], digits, 'SAPT2-SA-atz')

            # SAPT2+
            qcdb.compare_values(-4.5873, h2kc * df['SAPT2P-SA-adz'   ]['S22-2'], digits, 'SAPT2P-SA-adz')
            qcdb.compare_values(-5.0634, h2kc * df['SAPT2P-SA-atz'   ]['S22-2'], digits, 'SAPT2P-SA-atz')
            qcdb.compare_values(-4.5646, h2kc * df['SAPT2PC-SA-adz'  ]['S22-2'], digits, 'SAPT2PC-SA-adz')
            qcdb.compare_values(-5.0299, h2kc * df['SAPT2PC-SA-atz'  ]['S22-2'], digits, 'SAPT2PC-SA-atz')
            qcdb.compare_values(-4.7490, h2kc * df['SAPT2PM-SA-adz'  ]['S22-2'], digits, 'SAPT2PM-SA-adz')
            qcdb.compare_values(-5.1199, h2kc * df['SAPT2PM-SA-atz'  ]['S22-2'], digits, 'SAPT2PM-SA-atz')
            qcdb.compare_values(-4.7264, h2kc * df['SAPT2PCM-SA-adz' ]['S22-2'], digits, 'SAPT2PCM-SA-adz')
            qcdb.compare_values(-5.0864, h2kc * df['SAPT2PCM-SA-atz' ]['S22-2'], digits, 'SAPT2PCM-SA-atz')

            # SAPT2+(3)
            qcdb.compare_values(-4.3833, h2kc * df['SAPT3-SA-adz'    ]['S22-2'], digits, 'SAPT3-SA-adz')
            qcdb.compare_values(-4.8140, h2kc * df['SAPT3-SA-atz'    ]['S22-2'], digits, 'SAPT3-SA-atz')
            qcdb.compare_values(-4.3607, h2kc * df['SAPT3C-SA-adz'   ]['S22-2'], digits, 'SAPT3C-SA-adz')
            qcdb.compare_values(-4.7805, h2kc * df['SAPT3C-SA-atz'   ]['S22-2'], digits, 'SAPT3C-SA-atz')
            qcdb.compare_values(-4.5450, h2kc * df['SAPT3M-SA-adz'   ]['S22-2'], digits, 'SAPT3M-SA-adz')
            qcdb.compare_values(-4.8705, h2kc * df['SAPT3M-SA-atz'   ]['S22-2'], digits, 'SAPT3M-SA-atz')
            qcdb.compare_values(-4.5224, h2kc * df['SAPT3CM-SA-adz'  ]['S22-2'], digits, 'SAPT3CM-SA-adz')
            qcdb.compare_values(-4.8370, h2kc * df['SAPT3CM-SA-atz'  ]['S22-2'], digits, 'SAPT3CM-SA-atz')

            # SAPT2+3
            qcdb.compare_values(-4.4876, h2kc * df['SAPT3F-SA-adz'   ]['S22-2'], digits, 'SAPT3F-SA-adz')
            qcdb.compare_values(-4.9513, h2kc * df['SAPT3F-SA-atz'   ]['S22-2'], digits, 'SAPT3F-SA-atz')
            qcdb.compare_values(-4.4649, h2kc * df['SAPT3FC-SA-adz'  ]['S22-2'], digits, 'SAPT3FC-SA-adz')
            qcdb.compare_values(-4.9177, h2kc * df['SAPT3FC-SA-atz'  ]['S22-2'], digits, 'SAPT3FC-SA-atz')
            qcdb.compare_values(-4.5566, h2kc * df['SAPT3FM-SA-adz'  ]['S22-2'], digits, 'SAPT3FM-SA-adz')
            qcdb.compare_values(-4.9033, h2kc * df['SAPT3FM-SA-atz'  ]['S22-2'], digits, 'SAPT3FM-SA-atz')
            qcdb.compare_values(-4.5339, h2kc * df['SAPT3FCM-SA-adz' ]['S22-2'], digits, 'SAPT3FCM-SA-adz')
            qcdb.compare_values(-4.8698, h2kc * df['SAPT3FCM-SA-atz' ]['S22-2'], digits, 'SAPT3FCM-SA-atz')

            # SAPT-DFT calendar
            qcdb.compare_values(-3.6460, h2kc * df['SAPTDFT-SA-dz'   ]['S22-2'], digits, 'SAPTDFT-SA-dz')
            qcdb.compare_values(-4.0558, h2kc * df['SAPTDFT-SA-jadz' ]['S22-2'], digits, 'SAPTDFT-SA-jadz')
            qcdb.compare_values(-4.2574, h2kc * df['SAPTDFT-SA-hadz' ]['S22-2'], digits, 'SAPTDFT-SA-hadz')
            qcdb.compare_values(-4.3283, h2kc * df['SAPTDFT-SA-tz'   ]['S22-2'], digits, 'SAPTDFT-SA-tz')
            qcdb.compare_values(-4.4552, h2kc * df['SAPTDFT-SA-matz' ]['S22-2'], digits, 'SAPTDFT-SA-matz')
            qcdb.compare_values(-4.5493, h2kc * df['SAPTDFT-SA-jatz' ]['S22-2'], digits, 'SAPTDFT-SA-jatz')
            qcdb.compare_values(-4.6270, h2kc * df['SAPTDFT-SA-hatz' ]['S22-2'], digits, 'SAPTDFT-SA-hatz')

            # SAPT0 calendar
            qcdb.compare_values(-4.8269, h2kc * df['SAPT0-SA-dz'     ]['S22-2'], digits, 'SAPT0-SA-dz')
            qcdb.compare_values(-5.0815, h2kc * df['SAPT0-SA-jadz'   ]['S22-2'], digits, 'SAPT0-SA-jadz')
            qcdb.compare_values(-5.3551, h2kc * df['SAPT0-SA-hadz'   ]['S22-2'], digits, 'SAPT0-SA-hadz')
            qcdb.compare_values(-5.3456, h2kc * df['SAPT0-SA-tz'     ]['S22-2'], digits, 'SAPT0-SA-tz')
            qcdb.compare_values(-5.4272, h2kc * df['SAPT0-SA-matz'   ]['S22-2'], digits, 'SAPT0-SA-matz')
            qcdb.compare_values(-5.5103, h2kc * df['SAPT0-SA-jatz'   ]['S22-2'], digits, 'SAPT0-SA-jatz')
            qcdb.compare_values(-5.5705, h2kc * df['SAPT0-SA-hatz'   ]['S22-2'], digits, 'SAPT0-SA-hatz')
            qcdb.compare_values(-5.5938, h2kc * df['SAPT0-SA-qz'     ]['S22-2'], digits, 'SAPT0-SA-qz')
            qcdb.compare_values(-5.6346, h2kc * df['SAPT0-SA-aaqz'   ]['S22-2'], digits, 'SAPT0-SA-aaqz')
            qcdb.compare_values(-5.6488, h2kc * df['SAPT0-SA-maqz'   ]['S22-2'], digits, 'SAPT0-SA-maqz')
            qcdb.compare_values(-5.6764, h2kc * df['SAPT0-SA-jaqz'   ]['S22-2'], digits, 'SAPT0-SA-jaqz')
            qcdb.compare_values(-5.6916, h2kc * df['SAPT0-SA-haqz'   ]['S22-2'], digits, 'SAPT0-SA-haqz')

            # sSAPT0 calendar
            qcdb.compare_values(-4.7832, h2kc * df['SAPT0S-SA-dz'    ]['S22-2'], digits, 'SAPT0S-SA-dz')
            qcdb.compare_values(-5.0416, h2kc * df['SAPT0S-SA-jadz'  ]['S22-2'], digits, 'SAPT0S-SA-jadz')
            qcdb.compare_values(-5.3150, h2kc * df['SAPT0S-SA-hadz'  ]['S22-2'], digits, 'SAPT0S-SA-hadz')
            qcdb.compare_values(-5.3014, h2kc * df['SAPT0S-SA-tz'    ]['S22-2'], digits, 'SAPT0S-SA-tz')
            qcdb.compare_values(-5.3844, h2kc * df['SAPT0S-SA-matz'  ]['S22-2'], digits, 'SAPT0S-SA-matz')
            qcdb.compare_values(-5.4676, h2kc * df['SAPT0S-SA-jatz'  ]['S22-2'], digits, 'SAPT0S-SA-jatz')
            qcdb.compare_values(-5.5277, h2kc * df['SAPT0S-SA-hatz'  ]['S22-2'], digits, 'SAPT0S-SA-hatz')
            qcdb.compare_values(-5.5504, h2kc * df['SAPT0S-SA-qz'    ]['S22-2'], digits, 'SAPT0S-SA-qz')
            qcdb.compare_values(-5.5919, h2kc * df['SAPT0S-SA-aaqz'  ]['S22-2'], digits, 'SAPT0S-SA-aaqz')
            qcdb.compare_values(-5.6061, h2kc * df['SAPT0S-SA-maqz'  ]['S22-2'], digits, 'SAPT0S-SA-maqz')
            qcdb.compare_values(-5.6336, h2kc * df['SAPT0S-SA-jaqz'  ]['S22-2'], digits, 'SAPT0S-SA-jaqz')
            qcdb.compare_values(-5.6487, h2kc * df['SAPT0S-SA-haqz'  ]['S22-2'], digits, 'SAPT0S-SA-haqz')

            # SCS-SAPT0 calendar
            qcdb.compare_values(-4.7636, h2kc * df['SAPTSCS-SA-dz'   ]['S22-2'], digits, 'SAPTSCS-SA-dz')
            qcdb.compare_values(-5.0086, h2kc * df['SAPTSCS-SA-jadz' ]['S22-2'], digits, 'SAPTSCS-SA-jadz')
            qcdb.compare_values(-5.2605, h2kc * df['SAPTSCS-SA-hadz' ]['S22-2'], digits, 'SAPTSCS-SA-hadz')
            qcdb.compare_values(-5.2544, h2kc * df['SAPTSCS-SA-tz'   ]['S22-2'], digits, 'SAPTSCS-SA-tz')
            qcdb.compare_values(-5.3323, h2kc * df['SAPTSCS-SA-matz' ]['S22-2'], digits, 'SAPTSCS-SA-matz')
            qcdb.compare_values(-5.4104, h2kc * df['SAPTSCS-SA-jatz' ]['S22-2'], digits, 'SAPTSCS-SA-jatz')
            qcdb.compare_values(-5.4698, h2kc * df['SAPTSCS-SA-hatz' ]['S22-2'], digits, 'SAPTSCS-SA-hatz')
            qcdb.compare_values(-5.4980, h2kc * df['SAPTSCS-SA-qz'   ]['S22-2'], digits, 'SAPTSCS-SA-qz')
            qcdb.compare_values(-5.5371, h2kc * df['SAPTSCS-SA-aaqz' ]['S22-2'], digits, 'SAPTSCS-SA-aaqz')
            qcdb.compare_values(-5.5501, h2kc * df['SAPTSCS-SA-maqz' ]['S22-2'], digits, 'SAPTSCS-SA-maqz')
            qcdb.compare_values(-5.5773, h2kc * df['SAPTSCS-SA-jaqz' ]['S22-2'], digits, 'SAPTSCS-SA-jaqz')
            qcdb.compare_values(-5.5931, h2kc * df['SAPTSCS-SA-haqz' ]['S22-2'], digits, 'SAPTSCS-SA-haqz')

            # SAPT2 calendar
            qcdb.compare_values(-4.0462, h2kc * df['SAPT2-SA-dz'     ]['S22-2'], digits, 'SAPT2-SA-dz')
            qcdb.compare_values(-4.0592, h2kc * df['SAPT2-SA-jadz'   ]['S22-2'], digits, 'SAPT2-SA-jadz')
            qcdb.compare_values(-4.2649, h2kc * df['SAPT2-SA-hadz'   ]['S22-2'], digits, 'SAPT2-SA-hadz')
            qcdb.compare_values(-4.5164, h2kc * df['SAPT2-SA-tz'     ]['S22-2'], digits, 'SAPT2-SA-tz')
            qcdb.compare_values(-4.4903, h2kc * df['SAPT2-SA-matz'   ]['S22-2'], digits, 'SAPT2-SA-matz')
            qcdb.compare_values(-4.5383, h2kc * df['SAPT2-SA-jatz'   ]['S22-2'], digits, 'SAPT2-SA-jatz')
            qcdb.compare_values(-4.6029, h2kc * df['SAPT2-SA-hatz'   ]['S22-2'], digits, 'SAPT2-SA-hatz')

            # SAPT2+ calendar
            qcdb.compare_values(-4.2283, h2kc * df['SAPT2P-SA-dz'    ]['S22-2'], digits, 'SAPT2P-SA-dz')
            qcdb.compare_values(-4.3232, h2kc * df['SAPT2P-SA-jadz'  ]['S22-2'], digits, 'SAPT2P-SA-jadz')
            qcdb.compare_values(-4.5797, h2kc * df['SAPT2P-SA-hadz'  ]['S22-2'], digits, 'SAPT2P-SA-hadz')
            qcdb.compare_values(-4.7915, h2kc * df['SAPT2P-SA-tz'    ]['S22-2'], digits, 'SAPT2P-SA-tz')
            qcdb.compare_values(-4.8063, h2kc * df['SAPT2P-SA-matz'  ]['S22-2'], digits, 'SAPT2P-SA-matz')
            qcdb.compare_values(-4.9108, h2kc * df['SAPT2P-SA-jatz'  ]['S22-2'], digits, 'SAPT2P-SA-jatz')
            qcdb.compare_values(-5.0005, h2kc * df['SAPT2P-SA-hatz'  ]['S22-2'], digits, 'SAPT2P-SA-hatz')
            qcdb.compare_values(-4.2146, h2kc * df['SAPT2PC-SA-dz'   ]['S22-2'], digits, 'SAPT2PC-SA-dz')
            qcdb.compare_values(-4.3006, h2kc * df['SAPT2PC-SA-jadz' ]['S22-2'], digits, 'SAPT2PC-SA-jadz')
            qcdb.compare_values(-4.5537, h2kc * df['SAPT2PC-SA-hadz' ]['S22-2'], digits, 'SAPT2PC-SA-hadz')
            qcdb.compare_values(-4.7659, h2kc * df['SAPT2PC-SA-tz'   ]['S22-2'], digits, 'SAPT2PC-SA-tz')
            qcdb.compare_values(-4.7752, h2kc * df['SAPT2PC-SA-matz' ]['S22-2'], digits, 'SAPT2PC-SA-matz')
            qcdb.compare_values(-4.8760, h2kc * df['SAPT2PC-SA-jatz' ]['S22-2'], digits, 'SAPT2PC-SA-jatz')
            qcdb.compare_values(-4.9661, h2kc * df['SAPT2PC-SA-hatz' ]['S22-2'], digits, 'SAPT2PC-SA-hatz')
            qcdb.compare_values(-4.1148, h2kc * df['SAPT2PM-dfmp-SA-dz'   ]['S22-2'], digits, 'SAPT2PM-SA-dz')
            qcdb.compare_values(-4.4276, h2kc * df['SAPT2PM-dfmp-SA-jadz' ]['S22-2'], digits, 'SAPT2PM-SA-jadz')
            qcdb.compare_values(-4.7304, h2kc * df['SAPT2PM-dfmp-SA-hadz' ]['S22-2'], digits, 'SAPT2PM-SA-hadz')
            qcdb.compare_values(-4.7067, h2kc * df['SAPT2PM-dfmp-SA-tz'   ]['S22-2'], digits, 'SAPT2PM-SA-tz')
            qcdb.compare_values(-4.8269, h2kc * df['SAPT2PM-dfmp-SA-matz' ]['S22-2'], digits, 'SAPT2PM-SA-matz')
            qcdb.compare_values(-4.9486, h2kc * df['SAPT2PM-dfmp-SA-jatz' ]['S22-2'], digits, 'SAPT2PM-SA-jatz')
            qcdb.compare_values(-5.0528, h2kc * df['SAPT2PM-dfmp-SA-hatz' ]['S22-2'], digits, 'SAPT2PM-SA-hatz')
            qcdb.compare_values(-4.1011, h2kc * df['SAPT2PCM-dfmp-SA-dz'  ]['S22-2'], digits, 'SAPT2PCM-SA-dz')
            qcdb.compare_values(-4.4050, h2kc * df['SAPT2PCM-dfmp-SA-jadz']['S22-2'], digits, 'SAPT2PCM-SA-jadz')
            qcdb.compare_values(-4.7045, h2kc * df['SAPT2PCM-dfmp-SA-hadz']['S22-2'], digits, 'SAPT2PCM-SA-hadz')
            qcdb.compare_values(-4.6810, h2kc * df['SAPT2PCM-dfmp-SA-tz'  ]['S22-2'], digits, 'SAPT2PCM-SA-tz')
            qcdb.compare_values(-4.7958, h2kc * df['SAPT2PCM-dfmp-SA-matz']['S22-2'], digits, 'SAPT2PCM-SA-matz')
            qcdb.compare_values(-4.9138, h2kc * df['SAPT2PCM-dfmp-SA-jatz']['S22-2'], digits, 'SAPT2PCM-SA-jatz')
            qcdb.compare_values(-5.0184, h2kc * df['SAPT2PCM-dfmp-SA-hatz']['S22-2'], digits, 'SAPT2PCM-SA-hatz')

            # SAPT2+(3) calendar
            qcdb.compare_values(-3.8820, h2kc * df['SAPT3-SA-dz'     ]['S22-2'], digits, 'SAPT3-SA-dz')
            qcdb.compare_values(-4.0505, h2kc * df['SAPT3-SA-jadz'   ]['S22-2'], digits, 'SAPT3-SA-jadz')
            qcdb.compare_values(-4.3457, h2kc * df['SAPT3-SA-hadz'   ]['S22-2'], digits, 'SAPT3-SA-hadz')
            qcdb.compare_values(-4.4899, h2kc * df['SAPT3-SA-tz'     ]['S22-2'], digits, 'SAPT3-SA-tz')
            qcdb.compare_values(-4.5467, h2kc * df['SAPT3-SA-matz'   ]['S22-2'], digits, 'SAPT3-SA-matz')
            qcdb.compare_values(-4.6618, h2kc * df['SAPT3-SA-jatz'   ]['S22-2'], digits, 'SAPT3-SA-jatz')
            qcdb.compare_values(-4.7463, h2kc * df['SAPT3-SA-hatz'   ]['S22-2'], digits, 'SAPT3-SA-hatz')
            qcdb.compare_values(-3.8683, h2kc * df['SAPT3C-SA-dz'    ]['S22-2'], digits, 'SAPT3C-SA-dz')
            qcdb.compare_values(-4.0279, h2kc * df['SAPT3C-SA-jadz'  ]['S22-2'], digits, 'SAPT3C-SA-jadz')
            qcdb.compare_values(-4.3197, h2kc * df['SAPT3C-SA-hadz'  ]['S22-2'], digits, 'SAPT3C-SA-hadz')
            qcdb.compare_values(-4.4643, h2kc * df['SAPT3C-SA-tz'    ]['S22-2'], digits, 'SAPT3C-SA-tz')
            qcdb.compare_values(-4.5155, h2kc * df['SAPT3C-SA-matz'  ]['S22-2'], digits, 'SAPT3C-SA-matz')
            qcdb.compare_values(-4.6270, h2kc * df['SAPT3C-SA-jatz'  ]['S22-2'], digits, 'SAPT3C-SA-jatz')
            qcdb.compare_values(-4.7119, h2kc * df['SAPT3C-SA-hatz'  ]['S22-2'], digits, 'SAPT3C-SA-hatz')
            qcdb.compare_values(-3.7685, h2kc * df['SAPT3M-dfmp-SA-dz'    ]['S22-2'], digits, 'SAPT3M-SA-dz')
            qcdb.compare_values(-4.1549, h2kc * df['SAPT3M-dfmp-SA-jadz'  ]['S22-2'], digits, 'SAPT3M-SA-jadz')
            qcdb.compare_values(-4.4964, h2kc * df['SAPT3M-dfmp-SA-hadz'  ]['S22-2'], digits, 'SAPT3M-SA-hadz')
            qcdb.compare_values(-4.4051, h2kc * df['SAPT3M-dfmp-SA-tz'    ]['S22-2'], digits, 'SAPT3M-SA-tz')
            qcdb.compare_values(-4.5672, h2kc * df['SAPT3M-dfmp-SA-matz'  ]['S22-2'], digits, 'SAPT3M-SA-matz')
            qcdb.compare_values(-4.6996, h2kc * df['SAPT3M-dfmp-SA-jatz'  ]['S22-2'], digits, 'SAPT3M-SA-jatz')
            qcdb.compare_values(-4.7985, h2kc * df['SAPT3M-dfmp-SA-hatz'  ]['S22-2'], digits, 'SAPT3M-SA-hatz')
            qcdb.compare_values(-3.7549, h2kc * df['SAPT3CM-dfmp-SA-dz'   ]['S22-2'], digits, 'SAPT3CM-SA-dz')
            qcdb.compare_values(-4.1323, h2kc * df['SAPT3CM-dfmp-SA-jadz' ]['S22-2'], digits, 'SAPT3CM-SA-jadz')
            qcdb.compare_values(-4.4704, h2kc * df['SAPT3CM-dfmp-SA-hadz' ]['S22-2'], digits, 'SAPT3CM-SA-hadz')
            qcdb.compare_values(-4.3794, h2kc * df['SAPT3CM-dfmp-SA-tz'   ]['S22-2'], digits, 'SAPT3CM-SA-tz')
            qcdb.compare_values(-4.5361, h2kc * df['SAPT3CM-dfmp-SA-matz' ]['S22-2'], digits, 'SAPT3CM-SA-matz')
            qcdb.compare_values(-4.6648, h2kc * df['SAPT3CM-dfmp-SA-jatz' ]['S22-2'], digits, 'SAPT3CM-SA-jatz')
            qcdb.compare_values(-4.7642, h2kc * df['SAPT3CM-dfmp-SA-hatz' ]['S22-2'], digits, 'SAPT3CM-SA-hatz')

            # SAPT2+3 calendar
            qcdb.compare_values(-4.0025, h2kc * df['SAPT3F-SA-dz'    ]['S22-2'], digits, 'SAPT3F-SA-dz')
            qcdb.compare_values(-4.1601, h2kc * df['SAPT3F-SA-jadz'  ]['S22-2'], digits, 'SAPT3F-SA-jadz')
            qcdb.compare_values(-4.4524, h2kc * df['SAPT3F-SA-hadz'  ]['S22-2'], digits, 'SAPT3F-SA-hadz')
            qcdb.compare_values(-4.6223, h2kc * df['SAPT3F-SA-tz'    ]['S22-2'], digits, 'SAPT3F-SA-tz')
            qcdb.compare_values(-4.6784, h2kc * df['SAPT3F-SA-matz'  ]['S22-2'], digits, 'SAPT3F-SA-matz')
            qcdb.compare_values(-4.7913, h2kc * df['SAPT3F-SA-jatz'  ]['S22-2'], digits, 'SAPT3F-SA-jatz')
            qcdb.compare_values(-4.8804, h2kc * df['SAPT3F-SA-hatz'  ]['S22-2'], digits, 'SAPT3F-SA-hatz')
            qcdb.compare_values(-3.9889, h2kc * df['SAPT3FC-SA-dz'   ]['S22-2'], digits, 'SAPT3FC-SA-dz')
            qcdb.compare_values(-4.1375, h2kc * df['SAPT3FC-SA-jadz' ]['S22-2'], digits, 'SAPT3FC-SA-jadz')
            qcdb.compare_values(-4.4264, h2kc * df['SAPT3FC-SA-hadz' ]['S22-2'], digits, 'SAPT3FC-SA-hadz')
            qcdb.compare_values(-4.5967, h2kc * df['SAPT3FC-SA-tz'   ]['S22-2'], digits, 'SAPT3FC-SA-tz')
            qcdb.compare_values(-4.6473, h2kc * df['SAPT3FC-SA-matz' ]['S22-2'], digits, 'SAPT3FC-SA-matz')
            qcdb.compare_values(-4.7565, h2kc * df['SAPT3FC-SA-jatz' ]['S22-2'], digits, 'SAPT3FC-SA-jatz')
            qcdb.compare_values(-4.8460, h2kc * df['SAPT3FC-SA-hatz' ]['S22-2'], digits, 'SAPT3FC-SA-hatz')
            qcdb.compare_values(-3.7746, h2kc * df['SAPT3FM-dfmp-SA-dz'   ]['S22-2'], digits, 'SAPT3FM-SA-dz')
            qcdb.compare_values(-4.1584, h2kc * df['SAPT3FM-dfmp-SA-jadz' ]['S22-2'], digits, 'SAPT3FM-SA-jadz')
            qcdb.compare_values(-4.5056, h2kc * df['SAPT3FM-dfmp-SA-hadz' ]['S22-2'], digits, 'SAPT3FM-SA-hadz')
            qcdb.compare_values(-4.4278, h2kc * df['SAPT3FM-dfmp-SA-tz'   ]['S22-2'], digits, 'SAPT3FM-SA-tz')
            qcdb.compare_values(-4.5890, h2kc * df['SAPT3FM-dfmp-SA-matz' ]['S22-2'], digits, 'SAPT3FM-SA-matz')
            qcdb.compare_values(-4.7242, h2kc * df['SAPT3FM-dfmp-SA-jatz' ]['S22-2'], digits, 'SAPT3FM-SA-jatz')
            qcdb.compare_values(-4.8274, h2kc * df['SAPT3FM-dfmp-SA-hatz' ]['S22-2'], digits, 'SAPT3FM-SA-hatz')
            qcdb.compare_values(-3.7609, h2kc * df['SAPT3FCM-dfmp-SA-dz'  ]['S22-2'], digits, 'SAPT3FCM-SA-dz')
            qcdb.compare_values(-4.1358, h2kc * df['SAPT3FCM-dfmp-SA-jadz']['S22-2'], digits, 'SAPT3FCM-SA-jadz')
            qcdb.compare_values(-4.4796, h2kc * df['SAPT3FCM-dfmp-SA-hadz']['S22-2'], digits, 'SAPT3FCM-SA-hadz')
            qcdb.compare_values(-4.4021, h2kc * df['SAPT3FCM-dfmp-SA-tz'  ]['S22-2'], digits, 'SAPT3FCM-SA-tz')
            qcdb.compare_values(-4.5579, h2kc * df['SAPT3FCM-dfmp-SA-matz']['S22-2'], digits, 'SAPT3FCM-SA-matz')
            qcdb.compare_values(-4.6894, h2kc * df['SAPT3FCM-dfmp-SA-jatz']['S22-2'], digits, 'SAPT3FCM-SA-jatz')
            qcdb.compare_values(-4.7930, h2kc * df['SAPT3FCM-dfmp-SA-hatz']['S22-2'], digits, 'SAPT3FCM-SA-hatz')

        elif project in ['sapta0a1conv', 'saptone']: # alpha 0 era, I believe (Aug 2017)
            print("""\n        Checks from sapta0a1test project:\n""")

            #test_alpha_0 = False
            test_alpha_0 = True

            if not test_alpha_0:

                # <<<  subset of saptone above  >>>
                print('Round 1')
                digits = 0.0006
    
                # SAPT0
                qcdb.compare_values(-5.3837, h2kc * df['SAPT0-SA-adz'    ]['S22-2'], digits, 'SAPT0-SA-adz')
    
                # sSAPT0
                qcdb.compare_values(-5.3440, h2kc * df['SAPT0S-SA-adz'   ]['S22-2'], digits, 'SAPT0S-SA-adz')
    
                # SCS-SAPT0
                qcdb.compare_values(-5.2855, h2kc * df['SAPTSCS-SA-adz'  ]['S22-2'], digits, 'SAPTSCS-SA-adz')
    
                # SAPT2
                qcdb.compare_values(-4.2041, h2kc * df['SAPT2-SA-adz'    ]['S22-2'], digits, 'SAPT2-SA-adz')
    
                # SAPT2+
                qcdb.compare_values(-4.5873, h2kc * df['SAPT2P-SA-adz'   ]['S22-2'], digits, 'SAPT2P-SA-adz')
                qcdb.compare_values(-4.5646, h2kc * df['SAPT2PC-SA-adz'  ]['S22-2'], digits, 'SAPT2PC-SA-adz')
                qcdb.compare_values(-4.7490, h2kc * df['SAPT2PM-SA-adz'  ]['S22-2'], digits, 'SAPT2PM-SA-adz')
                qcdb.compare_values(-4.7264, h2kc * df['SAPT2PCM-SA-adz' ]['S22-2'], digits, 'SAPT2PCM-SA-adz')
    
                # SAPT2+(3)
                qcdb.compare_values(-4.3833, h2kc * df['SAPT3-SA-adz'    ]['S22-2'], digits, 'SAPT3-SA-adz')
                qcdb.compare_values(-4.3607, h2kc * df['SAPT3C-SA-adz'   ]['S22-2'], digits, 'SAPT3C-SA-adz')
                qcdb.compare_values(-4.5450, h2kc * df['SAPT3M-SA-adz'   ]['S22-2'], digits, 'SAPT3M-SA-adz')
                qcdb.compare_values(-4.5224, h2kc * df['SAPT3CM-SA-adz'  ]['S22-2'], digits, 'SAPT3CM-SA-adz')
    
                # SAPT2+3
                qcdb.compare_values(-4.4876, h2kc * df['SAPT3F-SA-adz'   ]['S22-2'], digits, 'SAPT3F-SA-adz')
                qcdb.compare_values(-4.4649, h2kc * df['SAPT3FC-SA-adz'  ]['S22-2'], digits, 'SAPT3FC-SA-adz')
                qcdb.compare_values(-4.5566, h2kc * df['SAPT3FM-SA-adz'  ]['S22-2'], digits, 'SAPT3FM-SA-adz')
                qcdb.compare_values(-4.5339, h2kc * df['SAPT3FCM-SA-adz' ]['S22-2'], digits, 'SAPT3FCM-SA-adz')
    
                # <<<  qa1 from sapt6 - presumably from historical (saptone) data  >>>
                print('Round 2')
                mtdlbl = '-SA-adz'
                digits = 0.0006
    
                qcdb.compare_values(-5.3837, h2kc * df['SAPT0'    + mtdlbl]['S22-2'], digits, 'SAPT0'             )
                qcdb.compare_values(-5.3440, h2kc * df['SAPT0S'   + mtdlbl]['S22-2'], digits, 'SSAPT0'            )
                qcdb.compare_values(-5.2855, h2kc * df['SAPTSCS'  + mtdlbl]['S22-2'], digits, 'SCS-SAPT0'         )
                qcdb.compare_values(-4.2041, h2kc * df['SAPT2'    + mtdlbl]['S22-2'], digits, 'SAPT2'             )
                qcdb.compare_values(-4.5873, h2kc * df['SAPT2P'   + mtdlbl]['S22-2'], digits, 'SAPT2+'            )
                qcdb.compare_values(-4.5646, h2kc * df['SAPT2PC'  + mtdlbl]['S22-2'], digits, 'SAPT2+(CCD)'       )
                qcdb.compare_values(-4.7490, h2kc * df['SAPT2PM'  + mtdlbl]['S22-2'], digits, 'SAPT2+DMP2'        )
                qcdb.compare_values(-4.7264, h2kc * df['SAPT2PCM' + mtdlbl]['S22-2'], digits, 'SAPT2+(CCD)DMP2'   )
                qcdb.compare_values(-4.3833, h2kc * df['SAPT3'    + mtdlbl]['S22-2'], digits, 'SAPT2+(3)'         )
                qcdb.compare_values(-4.3607, h2kc * df['SAPT3C'   + mtdlbl]['S22-2'], digits, 'SAPT2+(3)(CCD)'    )
                qcdb.compare_values(-4.5450, h2kc * df['SAPT3M'   + mtdlbl]['S22-2'], digits, 'SAPT2+(3)DMP2'     )
                qcdb.compare_values(-4.5224, h2kc * df['SAPT3CM'  + mtdlbl]['S22-2'], digits, 'SAPT2+(3)(CCD)DMP2')
                qcdb.compare_values(-4.4876, h2kc * df['SAPT3F'   + mtdlbl]['S22-2'], digits, 'SAPT2+3'           )
                qcdb.compare_values(-4.4649, h2kc * df['SAPT3FC'  + mtdlbl]['S22-2'], digits, 'SAPT2+3(CCD)'      )
                qcdb.compare_values(-4.5566, h2kc * df['SAPT3FM'  + mtdlbl]['S22-2'], digits, 'SAPT2+3DMP2'       )
                qcdb.compare_values(-4.5339, h2kc * df['SAPT3FCM' + mtdlbl]['S22-2'], digits, 'SAPT2+3(CCD)DMP2'  )
    
                # <<<  a1 from sapt6 - presumably fresh, all df, fc runs  >>>
                print('Round 3')
                digits = 3
    
                #qcdb.compare_values(-3.56841161, h2kc * df[refs['a1']['HF']['TOTAL ENERGY']                =  
                qcdb.compare_values(-5.38368157, h2kc * df['SAPT0'    + mtdlbl]['S22-2'], digits, 'SAPT0'             )
                qcdb.compare_values(-4.20411910, h2kc * df['SAPT2'    + mtdlbl]['S22-2'], digits, 'SAPT2'             )
                qcdb.compare_values(-4.58728412, h2kc * df['SAPT2P'   + mtdlbl]['S22-2'], digits, 'SAPT2+'            )
                qcdb.compare_values(-4.38332144, h2kc * df['SAPT3'    + mtdlbl]['S22-2'], digits, 'SAPT2+(3)'         )
                qcdb.compare_values(-4.48758541, h2kc * df['SAPT3F'   + mtdlbl]['S22-2'], digits, 'SAPT2+3'           )
                qcdb.compare_values(-4.74869784, h2kc * df['SAPT2PM'  + mtdlbl]['S22-2'], digits, 'SAPT2+DMP2'        )
                qcdb.compare_values(-4.54473516, h2kc * df['SAPT3M'   + mtdlbl]['S22-2'], 0.005,  'SAPT2+(3)DMP2'     )
                qcdb.compare_values(-4.55625962, h2kc * df['SAPT3M'   + mtdlbl]['S22-2'], 0.015,  'SAPT2+3DMP2'       )
                qcdb.compare_values(-4.56442636, h2kc * df['SAPT2PC'  + mtdlbl]['S22-2'], digits, 'SAPT2+(CCD)'       )
                qcdb.compare_values(-4.36046368, h2kc * df['SAPT3C'   + mtdlbl]['S22-2'], digits, 'SAPT2+(3)(CCD)'    )
                qcdb.compare_values(-4.46472765, h2kc * df['SAPT3FC'  + mtdlbl]['S22-2'], digits, 'SAPT2+3(CCD)'      )
                qcdb.compare_values(-4.72584008, h2kc * df['SAPT2PCM' + mtdlbl]['S22-2'], digits, 'SAPT2+(CCD)DMP2'   )
                qcdb.compare_values(-4.52187740, h2kc * df['SAPT3CM'  + mtdlbl]['S22-2'], digits, 'SAPT2+(3)(CCD)DMP2')
                qcdb.compare_values(-4.53340186, h2kc * df['SAPT3FCM' + mtdlbl]['S22-2'], digits, 'SAPT2+3(CCD)DMP2'  )

            else:

                # <<<  a0 from sapt6
                print('Round 4')
                mtdlbl = '-SA-adz'
                digits = 3

                # sapt and mp2corl optionless
                qcdb.compare_values(-5.38659786, h2kc * df['SAPT0'    + mtdlbl]['S22-2'], digits, 'SAPT0')
                qcdb.compare_values(-4.21902186, h2kc * df['SAPT2'    + mtdlbl]['S22-2'], digits, 'SAPT2')
                qcdb.compare_values(-4.60218688, h2kc * df['SAPT2P'   + mtdlbl]['S22-2'], digits, 'SAPT2+')
                qcdb.compare_values(-4.39822419, h2kc * df['SAPT3'    + mtdlbl]['S22-2'], digits, 'SAPT2+(3)')
                qcdb.compare_values(-4.50586162, h2kc * df['SAPT3F'   + mtdlbl]['S22-2'], digits, 'SAPT2+3')
                #qcdb.compare_values(-4.74869784, h2kc * df['SAPT2PM'  + mtdlbl]['S22-2'], digits, 'SAPT2+DMP2')
                #qcdb.compare_values(-4.54473516, h2kc * df['SAPT3M'   + mtdlbl]['S22-2'], digits, 'SAPT2+(3)DMP2')
                #qcdb.compare_values(-4.55617723, h2kc * df['SAPT3FM'  + mtdlbl]['S22-2'], digits, 'SAPT2+3DMP2')
                qcdb.compare_values(-4.57932912, h2kc * df['SAPT2PC'  + mtdlbl]['S22-2'], digits, 'SAPT2+(CCD)')
                qcdb.compare_values(-4.37536644, h2kc * df['SAPT3C'   + mtdlbl]['S22-2'], digits, 'SAPT2+(3)(CCD)')
                qcdb.compare_values(-4.48300386, h2kc * df['SAPT3FC'  + mtdlbl]['S22-2'], digits, 'SAPT2+3(CCD)')
                #qcdb.compare_values(-4.72584008, h2kc * df['SAPT2PCM' + mtdlbl]['S22-2'], digits, 'SAPT2+(CCD)DMP2')
                #qcdb.compare_values(-4.52187740, h2kc * df['SAPT3CM'  + mtdlbl]['S22-2'], digits, 'SAPT2+(3)(CCD)DMP2')
                #qcdb.compare_values(-4.53331948, h2kc * df['SAPT3FCM' + mtdlbl]['S22-2'], digits, 'SAPT2+3(CCD)DMP2')

                # sapt and mp2corl with dfhf-dfmp -or- sapt with dfhf and mp2corl with dfhf-dfmp
                mtdlbl = '-dfmp-SA-adz'
                qcdb.compare_values(-4.74869784, h2kc * df['SAPT2PM'  + mtdlbl]['S22-2'], digits, 'SAPT2+DMP2')
                qcdb.compare_values(-4.54473516, h2kc * df['SAPT3M'   + mtdlbl]['S22-2'], digits, 'SAPT2+(3)DMP2')
                qcdb.compare_values(-4.55617723, h2kc * df['SAPT3FM'  + mtdlbl]['S22-2'], digits, 'SAPT2+3DMP2')
                qcdb.compare_values(-4.72584008, h2kc * df['SAPT2PCM' + mtdlbl]['S22-2'], digits, 'SAPT2+(CCD)DMP2')
                qcdb.compare_values(-4.52187740, h2kc * df['SAPT3CM'  + mtdlbl]['S22-2'], digits, 'SAPT2+(3)(CCD)DMP2')
                qcdb.compare_values(-4.53331948, h2kc * df['SAPT3FCM' + mtdlbl]['S22-2'], digits, 'SAPT2+3(CCD)DMP2')

    except KeyError as e:
        print(e)
        pass
    else:
        print('End of Tests')
