PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
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462 Ethyleneimine (Azirane) (Geo)
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REF: L. Nygaard, J. T. Nielsen, J. Kirchheimer, G. Maltesen, J. Rastrup-Andersen, and G. O. Sorensen, J. Mol. Struct., 3, 491, (1969).
PM7
Ethyleneimine (Azirane)
<C-C> <C-N> GR=NNKMR69
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.48100000 +1 0.0000000 +0 0.0000000 +0 1 0 0
N 1.47500000 +1 60.0259693 +1 0.0000000 +0 1 2 0
H 1.09629186 +1 120.6600298 +1 -103.2084430 +1 1 2 3
H 1.09046717 +1 121.1651161 +1 110.5711458 +1 1 2 3
H 1.08997253 +1 121.1678413 +1 -110.3785041 +1 2 1 3
H 1.09579612 +1 120.6797989 +1 102.9491830 +1 2 1 3
H 1.01312153 +1 116.0480679 +1 106.4124809 +1 3 1 2