PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
sb(v)c4(plus) (bohsia)
5620 Sb(V)C4(+) (BOHSIA)
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ΔHf: 145.1 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.
CHARGE=1 PM7
Sb(V)C4(+) (BOHSIA)
H=145.1 HR=PW91D
Sb 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 2.07372787 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 2.07375671 +1 109.5127951 +1 0.0000000 +0 1 2 0
C 2.07384204 +1 109.4153961 +1 -119.9428647 +1 1 2 3
C 2.07367092 +1 109.5046464 +1 -119.9932459 +1 1 2 4
H 1.12058390 +1 114.5530880 +1 -59.9891735 +1 2 1 3
H 1.12041830 +1 114.6688190 +1 -119.9101499 +1 2 1 6
H 1.12039334 +1 114.7004346 +1 -120.0970529 +1 2 1 7
H 1.12035575 +1 114.6311985 +1 177.7710589 +1 3 1 2
H 1.12052272 +1 114.6381301 +1 -120.0356505 +1 3 1 9
H 1.12049202 +1 114.6714693 +1 -119.9440177 +1 3 1 10
H 1.12056260 +1 114.5586849 +1 179.8578723 +1 4 1 2
H 1.12033974 +1 114.6878604 +1 119.9646687 +1 4 1 12
H 1.12038568 +1 114.6732845 +1 120.0664156 +1 4 1 13
H 1.12039408 +1 114.7299058 +1 -177.5825707 +1 5 1 2
H 1.12051658 +1 114.6051520 +1 -119.9620811 +1 5 1 15
H 1.12047044 +1 114.6181054 +1 -120.0106939 +1 5 1 16