PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
tin tetramethoxide r
5520 Tin tetramethoxide (Geo)
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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
Tin tetramethoxide
<Sn-O> GR=PW91D
Sn 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
O 2.00988900 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.39635022 +1 121.5677678 +1 0.0000000 +0 2 1 0
O 1.93286653 +1 107.6177816 +1 -36.5319055 +1 1 2 3
C 1.39156305 +1 126.5359089 +1 160.5221148 +1 4 1 2
O 1.93280461 +1 112.8530832 +1 119.1819542 +1 1 2 4
C 1.39155740 +1 126.4784787 +1 82.9378624 +1 6 1 2
O 1.93298739 +1 107.4796301 +1 118.6962046 +1 1 2 6
C 1.39158907 +1 126.5269016 +1 34.8669973 +1 8 1 2
H 1.09766904 +1 111.2401130 +1 -66.2217762 +1 3 2 1
H 1.09773484 +1 111.9273146 +1 124.3856245 +1 3 2 10
H 1.10214441 +1 103.7001240 +1 -177.0727299 +1 5 4 1
H 1.09835594 +1 111.3316292 +1 118.1569560 +1 5 4 12
H 1.09818669 +1 110.7915320 +1 -66.4461079 +1 7 6 1
H 1.10203098 +1 103.7145914 +1 -117.8764895 +1 7 6 14
H 1.09838294 +1 111.3855441 +1 -58.0041148 +1 9 8 1
H 1.09812105 +1 110.8331212 +1 123.9289920 +1 9 8 16
H 1.10189229 +1 103.3616852 +1 118.0323534 +1 3 2 11
H 1.09804100 +1 110.9200953 +1 123.9566625 +1 5 4 13
H 1.09830639 +1 111.4507711 +1 -118.2028074 +1 7 6 15
H 1.10199321 +1 103.7236143 +1 117.8947856 +1 9 8 17