PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
hexaethyl digermane
3956 Hexaethyl digermane
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ΔHf: -60.3 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.
PM7
Hexaethyl digermane
H=-60.3 HR=PW91D
Ge 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Ge 2.44409432 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.96483071 +1 106.8801921 +1 0.0000000 +0 1 2 0
C 1.96305748 +1 107.1203950 +1 119.9032393 +1 1 2 3
C 1.96371925 +1 106.9572996 +1 120.1989770 +1 1 2 4
C 1.96405967 +1 107.0258964 +1 59.9286518 +1 2 1 3
C 1.96413902 +1 106.8645982 +1 119.9023436 +1 2 1 6
C 1.96326235 +1 107.2493201 +1 119.9627203 +1 2 1 7
H 1.09896194 +1 106.7936974 +1 -80.5977132 +1 3 1 2
H 1.09930918 +1 106.7980374 +1 115.0191286 +1 3 1 9
C 1.51038125 +1 111.1298760 +1 122.3587356 +1 3 1 10
H 1.09907353 +1 106.8558714 +1 -80.7844841 +1 4 1 2
H 1.09944466 +1 106.8493182 +1 115.0180442 +1 4 1 12
C 1.51060845 +1 111.1933888 +1 122.3404522 +1 4 1 13
H 1.09931191 +1 106.9158774 +1 34.8792236 +1 5 1 2
H 1.09907507 +1 106.7308443 +1 -115.0666946 +1 5 1 15
C 1.51074238 +1 111.1299114 +1 -122.5985533 +1 5 1 16
H 1.09912688 +1 106.8290176 +1 80.5512436 +1 6 2 1
H 1.09929668 +1 106.9294723 +1 -114.9974997 +1 6 2 18
C 1.51054322 +1 111.0988186 +1 -122.3708713 +1 6 2 19
H 1.09909277 +1 107.0562415 +1 -33.0972674 +1 7 2 1
H 1.09918041 +1 106.5675087 +1 114.9422338 +1 7 2 21
C 1.51030651 +1 111.1192211 +1 122.5008810 +1 7 2 22
H 1.09928434 +1 106.8716717 +1 -33.6929679 +1 8 2 1
H 1.09909158 +1 106.7818655 +1 115.0208489 +1 8 2 24
C 1.51058146 +1 111.1041847 +1 122.5720880 +1 8 2 25
H 1.09905762 +1 110.9292036 +1 178.4356207 +1 11 3 1
H 1.09801548 +1 112.0381057 +1 119.7023973 +1 11 3 27
H 1.09786813 +1 112.1320044 +1 120.7004251 +1 11 3 28
H 1.09908373 +1 110.9012709 +1 178.5787581 +1 14 4 1
H 1.09799983 +1 112.0292353 +1 119.6419177 +1 14 4 30
H 1.09780134 +1 112.1404233 +1 120.7628352 +1 14 4 31
H 1.09914509 +1 110.8810360 +1 178.4178913 +1 17 5 1
H 1.09783794 +1 112.1598641 +1 -119.5493490 +1 17 5 33
H 1.09801370 +1 112.0481467 +1 -120.7636899 +1 17 5 34
H 1.09804151 +1 112.0767729 +1 60.5348375 +1 20 6 2
H 1.09787615 +1 112.1053378 +1 -120.7430604 +1 20 6 36
H 1.09914571 +1 110.9214818 +1 -119.6201130 +1 20 6 37
H 1.09785566 +1 112.1001063 +1 -59.0744526 +1 23 7 2
H 1.09820384 +1 112.0268224 +1 120.6349820 +1 23 7 39
H 1.09887942 +1 111.0216463 +1 119.6231271 +1 23 7 40
H 1.09783880 +1 112.1407464 +1 -60.0716117 +1 26 8 2
H 1.09814773 +1 112.0704328 +1 120.6604750 +1 26 8 42
H 1.09907906 +1 110.9156286 +1 119.6553336 +1 26 8 43