PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
sih3o (bahtaf)
1904 SiH3O (BAHTAF)
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ΔHf: -117.9 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
SiH3O (BAHTAF)
H=-117.9 HR=PW91D
Si 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
O 1.61359669 +1 0.0000000 +0 0.0000000 +0 1 0 0
H 1.45614710 +1 112.1255533 +1 0.0000000 +0 1 2 0
O 2.22923250 +1 110.2871596 +1 -57.6694844 +1 2 1 3
C 2.33091492 +1 174.3789403 +1 2.5855905 +1 2 1 4
H 1.45600777 +1 111.8614219 +1 122.5971054 +1 1 2 3
H 1.45601691 +1 104.4038084 +1 118.6845828 +1 1 2 6
H 1.10155030 +1 143.1810842 +1 -10.9708921 +1 5 2 4
H 1.10160944 +1 90.0635012 +1 -121.8313938 +1 5 2 8
H 1.10184400 +1 95.8691490 +1 -106.7700511 +1 5 2 9
C 1.20155593 +1 30.7871929 +1 179.8417311 +1 4 2 1