Quantum chemical calculation were performed to simulate molecular vibrational modes. The commercially available software Gaussian 16 was implemented for calculation. Simulation workstation was constructed using EPYC dual CPU (7301, 16core 2.2 GHz basic clock frequency), 512 GB of DDR4 SDRAM. Based on the windows subsystem for Linux 2 (WSL2), the program was installed on windows 11 for access the graphical user interface and Gauss view 6.0 software on the Ubuntu installed in WSL2 . Constructed *.mol-extension files were first calculated for optimization of the tier coordination by a mechanical method. A continuous coordination was applied by the Hartree-Fock (HF) method with the B3LYP/6-31G(d) basis. Then density functional theory (DFT) B3LYP/6-31G(d) was implemented. After the optimization was finished, a DFT frequency calculation was performed. In addition, a series of model molecule volume was calculated with the "Volume" and "tight" modes as parameters in the Gaussian 16. Since, there are some compounds for which the exact number of bonds in the polymer chain and even the molecular structure are not known. Therefore, we assumed the following models for each polymer as shown in Fig. (a): 1) PI is a trimer of ODA-PMDA modified with a methyl group at the end, 2) SU-8 is a trimer of a part of the basic structures, and 3) OMR-100 is a quintet of polyisoprene. It has been suggested that there are various cross-linkers in series of OMR resists, but it was confirmed that they do not appear in the IR spectra . In other words, the IR spectra indicate that only a tiny fraction of the OMR-100 is polyisoprene.