PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
h2o - ch3och3r
1061 H2O - CH3OCH3 (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
H2O - CH3OCH3
<O -- H> GR=PW91D GWT=30
H 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
O 1.94574600 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.41571143 +1 113.2074286 +1 0.0000000 +0 2 1 0
C 1.41557611 +1 114.4693899 +1 -132.0080923 +1 2 1 3
H 1.50668486 +1 103.8153523 +1 -113.1096066 +1 1 2 3
H 1.09436481 +1 110.6597749 +1 163.7178990 +1 3 2 1
H 1.09430139 +1 111.1071697 +1 123.7146591 +1 3 2 6
H 1.09812486 +1 103.1937761 +1 118.3025689 +1 3 2 7
H 1.09429819 +1 111.1098404 +1 71.6447845 +1 4 2 1
H 1.09442118 +1 110.6769478 +1 123.6159307 +1 4 2 9
H 1.09803728 +1 103.1722964 +1 118.0226088 +1 4 2 10
O 0.95430472 +1 37.7896788 +1 179.6792959 +1 5 1 2