PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
c4h4r
107 CH2=C=C=CH2 (Geo)
(Previous)
(Back)
(Next)
REF: A. Almenningen, O. Bastiansen, M. Traetteberg, Acta Chem. Scand., 15, 1557 (1961).
GNORM=10 PM7
CH2=C=C=CH2
<C-H> <C1-C2> < > <C2-C3> GR=ABT1961
H 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.08300000 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.31800000 +1 121.8654103 +1 0.0000000 +0 2 1 0
C 1.28300000 +1 180.0000000 +0 175.4153930 +1 3 2 1
C 1.30558105 +1 180.0000000 +0 -4.5841520 +1 4 3 1
H 1.08300662 +1 122.8726300 +1 -0.0017192 +1 5 4 1
H 1.08146431 +1 115.4822141 +1 179.9989251 +1 2 1 3
H 1.08299435 +1 122.8817279 +1 -179.9999438 +1 5 4 6