Two octafluorocubanes dimer, C2h symmetry HF, Def2-TZVPP, gas phase E = -2197.25161320, DE = -1.19, H = -2197.068797, DH =-0.01, G = -2197.154938, DG = 4.53, F...centroid 3.288A
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Gaussian 16 (C01) calculation
创建时间:
2022-09-08

Gaussian 16 (C01) calculation