Accuracy
rep739sys010g04pt100ab
305 rep739sys010g04pt100ab
(Previous)
(Back)
(Next)
Geometry from http://www.nciatlas.org/
CHARGE=0
rep739sys010g04pt100ab
H=2.203+rep739sys010g04pt100a+rep739sys010g04pt100b HR=NCIA HWT=10
C 0.27832284 +0 -0.30312049 +0 -2.58374141 +0
H -0.09367716 +1 -1.18112049 +0 -3.11974141 +0
H 1.33932284 +0 -1.25712049 +1 -1.24474141 +0
H 1.11432284 +0 0.12587951 +0 -3.14274141 +0
H -0.51867716 +0 0.43487951 +0 -2.53774141 +0
O 0.63432284 +0 -0.60712049 +0 -1.24074141 +0
C -1.15723937 +0 1.10761222 +0 2.26357103 +0
O -0.65284507 +0 0.62484841 +0 1.27697106 +0
C -0.31793759 +0 1.69235014 +0 3.38134698 +0
C -2.65908039 +0 1.15925541 +0 2.44734408 +0
H -0.50588044 +0 1.15088512 +0 4.31145994 +0
H -2.94690672 +0 0.65313428 +0 3.37096868 +0
H -0.59466841 +0 2.73316205 +0 3.56061947 +0
H 0.73595045 +0 1.62919810 +0 3.12981205 +0
H -3.15554244 +0 0.68937032 +0 1.60225981 +0
H -2.99138409 +0 2.19512485 +0 2.53755351 +0