PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
hexamethyl digermane
3954 Hexamethyl digermane
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ΔHf: -41.1 kcal/mol, REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
I.P.: 8.2 eV, REF: M. F. Lappert, J. B. Pedley, J. Simpson, T. R. Spalding, J. Organomet. Chem., 29, 195 (1971).
PM7
Hexamethyl digermane
H=-41.1 I=8.18 HR=PW91D IR=LPSS1971
XX 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Ge 1.22852207 +1 0.0000000 +0 0.0000000 +0 1 0 0
Ge 1.22857307 +1 180.0000000 +0 0.0000000 +0 1 2 0
C 1.94389312 +1 108.4459020 +1 178.1979164 +1 2 1 3
C 1.94385220 +1 108.4533926 +1 -174.8075575 +1 3 1 4
C 1.94398392 +1 108.4357053 +1 119.9440392 +1 2 1 4
C 1.94377884 +1 108.4681281 +1 -120.0627199 +1 2 1 4
C 1.94388234 +1 108.4566270 +1 65.2014214 +1 3 1 4
C 1.94389696 +1 108.4458539 +1 -54.8014353 +1 3 1 4
H 1.08874452 +1 109.2681324 +1 -176.9717580 +1 4 2 1
H 1.08828056 +1 109.3650674 +1 63.0127716 +1 4 2 1
H 1.08818937 +1 109.4196437 +1 -56.9612912 +1 4 2 1
H 1.08875778 +1 109.2597510 +1 -177.8398378 +1 5 3 1
H 1.08827585 +1 109.3796595 +1 62.1479916 +1 5 3 1
H 1.08817366 +1 109.4224149 +1 -57.8289115 +1 5 3 1
H 1.08874514 +1 109.2651055 +1 -175.7188915 +1 6 2 1
H 1.08824992 +1 109.3613256 +1 64.2743916 +1 6 2 1
H 1.08820404 +1 109.4284142 +1 -55.7019126 +1 6 2 1
H 1.08876228 +1 109.2617522 +1 -176.5194003 +1 7 2 1
H 1.08826330 +1 109.3756487 +1 63.4681456 +1 7 2 1
H 1.08817862 +1 109.4283202 +1 -56.5084613 +1 7 2 1
H 1.08875731 +1 109.2612772 +1 -176.5407452 +1 8 3 1
H 1.08825080 +1 109.3676418 +1 63.4559858 +1 8 3 1
H 1.08820481 +1 109.4321638 +1 -56.5216473 +1 8 3 1
H 1.08874435 +1 109.2675639 +1 -177.4943890 +1 9 3 1
H 1.08828574 +1 109.3647860 +1 62.4968736 +1 9 3 1
H 1.08820097 +1 109.4187947 +1 -57.4777794 +1 9 3 1