PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
gec3f2(-) (fexfuj)
3913 GeC3F2(-) (FEXFUJ)
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ΔHf: -684.0 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.
CHARGE=-1 PM7
GeC3F2(-) (FEXFUJ)
H=-684.0 HR=PW91D
Ge 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
F 1.43477856 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 2.10921969 +1 90.4878845 +1 0.0000000 +0 1 2 0
F 2.92970958 +1 109.3975459 +1 -102.9772969 +1 1 2 3
F 2.09439078 +1 69.2686029 +1 -73.1622795 +1 4 1 2
F 2.09321810 +1 59.9320559 +1 77.5493630 +1 5 4 1
F 1.33445134 +1 114.9312216 +1 -119.8071510 +1 3 1 2
F 1.33414878 +1 115.4934520 +1 120.1093485 +1 3 1 7
C 1.33431670 +1 38.2960275 +1 -43.1691735 +1 5 4 6
C 2.11393539 +1 89.5812943 +1 -137.4757797 +1 1 2 4
F 1.33446336 +1 114.7906119 +1 120.0078402 +1 3 1 8
F 1.33435075 +1 115.0785361 +1 -145.8284172 +1 10 1 2
F 1.33462045 +1 115.1565301 +1 -120.1773369 +1 10 1 12
F 1.33469799 +1 115.0892724 +1 -120.0789383 +1 10 1 13
F 1.43600544 +1 89.5669289 +1 -179.6847952 +1 1 10 2