Accuracy
rep739sys032g04pt100ab
538 rep739sys032g04pt100ab
(Previous)
(Back)
(Next)
Geometry from http://www.nciatlas.org/
CHARGE=0
rep739sys032g04pt100ab
H=1.834+rep739sys032g04pt100a+rep739sys032g04pt100b HR=NCIA HWT=10
C -1.79549575 +0 0.00000000 +0 -1.78000000 +0
Cl 0.00000000 +1 0.00000000 +0 -1.78000000 +0
H -2.13568202 +0 1.03004238 +1 -1.78000000 +0
H -2.13621168 +0 -0.51377680 +0 -2.67122166 +0
H -2.13602844 +0 -0.51367939 +0 -0.88848614 +0
C 0.00000000 +0 0.00000000 +0 2.33892793 +0
O 0.00000000 +0 0.00000000 +0 1.13027000 +0
C 0.83354679 +0 0.98377034 +0 3.13464438 +0
C -0.83153786 +0 -0.98218778 +0 3.13630987 +0
H 1.55338200 +0 0.44587655 +0 3.75603359 +0
H -0.19528419 +0 -1.56169260 +0 3.80820303 +0
H 0.19959200 +0 1.55913500 +0 3.81218761 +0
H 1.36101077 +0 1.65484941 +0 2.46429177 +0
H -1.36289875 +0 -1.65282696 +0 2.46598704 +0
H -1.54787105 +0 -0.44692709 +0 3.76237037 +0