endo-reactant replicating G03 lit calc( Lit: E =-823.551090020, G = -823.404599) no sphere, E =-823.551090027 , G =-823.401106 =>2 -ve ν -144 and -3 cm-1. GN 0.000765607
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Gaussian 16 (C01) calculation
创建时间:
2023-08-31

Gaussian 16 (C01) calculation