PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
c5h5nr
493 Pyridine (Geo)
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REF: G. O. Sorensen, L. Mahler, J. Rastrup-Andersen, J. Mol. Struct., 20, 119 (1974).
GEO-OK PM7
Pyridine
<N-C1> <C1-C2> <N-C-C> <C2-C3> <C1-C2-C3> GR=SMRA1974
N 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.33800000 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.39400000 +1 123.8000000 +1 0.0000000 +0 2 1 0
C 1.39200000 +1 118.5000000 +1 0.0000000 +0 3 2 1
C 1.39552668 +1 118.6290449 +1 0.0000000 +0 4 3 2
C 1.40205122 +1 118.8249620 +1 0.0000000 +0 5 4 3
H 1.08862734 +1 120.6443275 +1 180.0000000 +0 4 3 2
H 1.08544308 +1 120.9426087 +1 -180.0000000 +0 5 4 3
H 1.09567706 +1 121.5957943 +1 -180.0000000 +0 6 5 4
H 1.08652252 +1 120.5884105 +1 180.0000000 +0 3 2 1
H 1.09970259 +1 115.3405480 +1 -180.0000000 +0 2 1 6