PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
sb(iii)c2i (doqwel)
6005 Sb(III)C2I (DOQWEL)
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ΔHf: 1.6 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
Sb(III)C2I (DOQWEL)
H=1.6 HR=PW91D
Sb 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
I 2.76368964 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 2.15872738 +1 95.6571318 +1 0.0000000 +0 1 2 0
C 2.15871554 +1 95.6387187 +1 -97.3034878 +1 1 2 3
H 1.11020234 +1 111.0793124 +1 -173.6199162 +1 3 1 2
H 1.11051436 +1 111.8653348 +1 -118.9577894 +1 3 1 5
H 1.11022117 +1 111.0336398 +1 173.7993995 +1 4 1 2
H 1.10940212 +1 113.2834570 +1 -120.3305745 +1 4 1 7
H 1.11039911 +1 111.9806671 +1 -120.6885260 +1 4 1 8
H 1.10929424 +1 113.3610477 +1 -120.6590392 +1 3 1 6