Accuracy
rep739sys018g08pt100ab
408 rep739sys018g08pt100ab
(Previous)
(Back)
(Next)
Geometry from http://www.nciatlas.org/
CHARGE=0
rep739sys018g08pt100ab
H=1.215+rep739sys018g08pt100a+rep739sys018g08pt100b HR=NCIA HWT=10
C -1.49805941 +0 0.00000000 +0 -1.60000000 +0
H -1.80851906 +1 0.01275883 +0 -2.64145716 +0
H -1.83572426 +0 0.89667970 +1 -1.09421550 +0
H -1.83493924 +0 -0.90925307 +0 -1.11612932 +0
N 0.00000000 +0 0.00000000 +0 -1.60000000 +0
O 0.55587982 +0 -1.08312142 +0 -1.62665747 +0
O 0.55598129 +0 1.08362254 +0 -1.60000000 +0
C 1.36928167 +0 -0.00051158 +0 2.46637372 +0
H 1.34912429 +0 -0.89205486 +0 3.08619085 +0
H -1.00767084 +0 0.00037648 +0 2.14798564 +0
H 1.34983728 +0 0.89210777 +0 3.08665157 +0
H 2.28609925 +0 -0.00054368 +0 1.88162547 +0
S 0.00000000 +0 0.00000000 +0 1.26076000 +0