PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
sb(iii)c3 (afutaw)
5627 Sb(III)C3 (AFUTAW)
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ΔHf: 52.4 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)C3 (AFUTAW)
H=52.4 HR=PW91D
Sb 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 2.17373524 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 2.15357622 +1 92.7761010 +1 0.0000000 +0 1 2 0
C 2.15254949 +1 93.0181375 +1 97.2142351 +1 1 2 3
H 1.10980848 +1 112.9288994 +1 -49.5938386 +1 4 1 2
H 1.10884165 +1 112.1625101 +1 -120.5683626 +1 4 1 5
H 1.11057452 +1 111.7475845 +1 -119.5114302 +1 4 1 6
H 1.10882785 +1 112.0864563 +1 162.4202210 +1 3 1 2
H 1.11016369 +1 112.7757159 +1 -120.3618224 +1 3 1 8
H 1.10995581 +1 111.9491476 +1 -119.9895484 +1 3 1 9
N 1.16332067 +1 136.5211133 +1 179.9228798 +1 2 3 1