PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
vinylacetr
109 Vinylacetylene (Geo)
(Previous)
(Back)
(Next)
REF: T. Fukuyama, K. Kuchitsu, Y. Morino, Bull. Chem. Soc. Jap., 42, 379 (1969).
PM7
Vinylacetylene
GR=FKM1969 <C3-C4> <C2-C3> <C2-C3-C4> <C1-C2>
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.34100000 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.43100000 +1 123.1000000 +1 0.0000000 +0 2 1 0
XX 1.00000000 +0 90.0000000 +0 180.0000000 +0 3 2 1
C 1.20800000 +1 90.0000000 +0 180.0000000 +0 3 4 2
XX 1.00000000 +0 90.0000000 +0 0.0000000 +0 5 3 4
H 1.02799533 +1 90.0000000 +0 180.0000000 +0 5 6 3
H 1.08024685 +1 123.6096754 +1 0.0000000 +0 1 2 3
H 1.07965618 +1 123.2130063 +1 180.0000000 +0 1 2 3
H 1.09708912 +1 121.9460899 +1 180.0000000 +0 2 1 3