PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
sb(v)cl5o (curduo)
5683 Sb(V)Cl5O (CURDUO)
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ΔHf: -146.6 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(V)Cl5O (CURDUO)
H=-146.6 HR=PW91D
Sb 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Cl 2.34083699 +1 0.0000000 +0 0.0000000 +0 1 0 0
Cl 2.31909879 +1 97.4491013 +1 0.0000000 +0 1 2 0
O 2.07123887 +1 85.6086997 +1 -179.7745964 +1 1 2 3
Cl 2.37221834 +1 80.6486278 +1 -179.6570379 +1 1 4 2
S 1.54526151 +1 171.0247128 +1 168.1829106 +1 4 1 2
C 1.78990342 +1 103.0717279 +1 119.9192577 +1 6 4 2
C 1.79035948 +1 102.7927141 +1 104.8283901 +1 6 4 7
H 1.10319594 +1 115.2290258 +1 60.4148455 +1 7 6 4
H 1.09623365 +1 111.9649381 +1 122.3831720 +1 7 6 9
H 1.10677666 +1 111.1964572 +1 119.1428247 +1 7 6 10
H 1.10682629 +1 111.1217322 +1 56.3323135 +1 8 6 4
H 1.09595174 +1 112.0028213 +1 119.2472632 +1 8 6 12
H 1.10324111 +1 115.2447743 +1 122.5950500 +1 8 6 13
Cl 2.35788244 +1 89.9286496 +1 -97.1452276 +1 1 2 3
Cl 2.35324133 +1 90.3226543 +1 -165.6249351 +1 1 2 15