PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
sn(iv)(h2o)4(oh)2
5526 Sn(IV)(H2O)4(OH)2
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ΔHf: 93.1 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=2 PM7
Sn(IV)(H2O)4(OH)2
H=93.1 HR=PW91D
Sn 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
O 2.15291055 +1 0.0000000 +0 0.0000000 +0 1 0 0
O 1.81021777 +1 115.5899702 +1 0.0000000 +0 1 2 0
O 1.80872291 +1 92.9595514 +1 -152.0954978 +1 1 2 3
O 2.14599409 +1 146.2100765 +1 -85.7759245 +1 1 2 4
O 2.10067827 +1 72.7228331 +1 -26.5105555 +1 1 2 5
O 2.16567503 +1 74.0659798 +1 -165.3247302 +1 1 2 6
H 0.99864505 +1 115.2936721 +1 161.3731178 +1 2 1 3
H 0.99801532 +1 117.3983631 +1 -122.9412232 +1 2 1 8
H 0.91439856 +1 169.3750745 +1 73.4082408 +1 3 1 2
H 0.91398832 +1 170.9030125 +1 -123.3441898 +1 4 1 2
H 0.99454767 +1 117.3449714 +1 -142.4424981 +1 5 1 2
H 0.99318160 +1 118.5159458 +1 -128.3272566 +1 5 1 12
H 0.98465200 +1 123.5761759 +1 176.2466484 +1 6 1 2
H 0.98260399 +1 126.2731216 +1 162.1985108 +1 6 1 14
H 0.99548052 +1 116.1896965 +1 -110.9211225 +1 7 1 2
H 0.99951730 +1 114.2882528 +1 -122.2465554 +1 7 1 16