Accuracy
rep739sys032g01pt100ab
535 rep739sys032g01pt100ab
(Previous)
(Back)
(Next)
Geometry from http://www.nciatlas.org/
CHARGE=0
rep739sys032g01pt100ab
H=1.611+rep739sys032g01pt100a+rep739sys032g01pt100b HR=NCIA HWT=10
C -1.63127098 +0 0.00000000 +0 -1.78000000 +0
Cl 0.00000000 +1 0.00000000 +0 -1.78000000 +0
N -2.78330030 +0 0.00066159 +1 -1.78000000 +0
C 0.00000000 +0 0.00000000 +0 2.03631793 +0
O 0.00000000 +0 0.00000000 +0 0.82766000 +0
C 0.83338408 +0 0.98390818 +0 2.83203438 +0
C -0.83137541 +0 -0.98232529 +0 2.83369987 +0
H 1.55330824 +0 0.44613346 +0 3.45342360 +0
H -0.19502590 +0 -1.56172488 +0 3.50559303 +0
H 0.19933414 +0 1.55916799 +0 3.50957761 +0
H 1.36073706 +0 1.65507449 +0 2.16168177 +0
H -1.36262537 +0 -1.65305235 +0 2.16337704 +0
H -1.54779711 +0 -0.44718309 +0 3.45976037 +0