PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
sb(iii)o3 (fepwus)
5631 Sb(III)O3 (FEPWUS)
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ΔHf: -113.4 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)O3 (FEPWUS)
H=-113.4 HR=PW91D
Sb 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
O 1.93303635 +1 0.0000000 +0 0.0000000 +0 1 0 0
O 1.93305734 +1 102.7024376 +1 0.0000000 +0 1 2 0
O 1.93301176 +1 102.6476940 +1 105.9685013 +1 1 2 3
C 1.38156013 +1 168.6967169 +1 -52.7923990 +1 2 1 3
C 1.38148336 +1 168.7425945 +1 52.4018088 +1 3 1 2
C 1.38148056 +1 168.7929904 +1 -53.3884201 +1 4 1 2
H 1.10173663 +1 109.4052471 +1 63.5774182 +1 5 2 1
H 1.10279267 +1 107.4622732 +1 119.5818993 +1 5 2 8
H 1.10163357 +1 109.5397480 +1 119.6301089 +1 5 2 9
H 1.10273442 +1 107.4658013 +1 -178.4625944 +1 6 3 1
H 1.10169681 +1 109.5032921 +1 119.6624007 +1 6 3 11
H 1.10174280 +1 109.4368907 +1 120.7506090 +1 6 3 12
H 1.10166894 +1 109.5815214 +1 -54.5353786 +1 7 4 1
H 1.10173517 +1 109.3588260 +1 120.7463964 +1 7 4 14
H 1.10269932 +1 107.4708152 +1 119.6040379 +1 7 4 15