Accuracy
rep739sys027g04pt100ab
501 rep739sys027g04pt100ab
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Geometry from http://www.nciatlas.org/
CHARGE=0
rep739sys027g04pt100ab
H=1.943+rep739sys027g04pt100a+rep739sys027g04pt100b HR=NCIA HWT=10
C -1.39018488 +0 0.00000000 +0 -1.40000000 +0
F 0.00000000 +1 0.00000000 +0 -1.40000000 +0
H -1.73996569 +0 1.03111366 +1 -1.40000000 +0
H -1.74059223 +0 -0.51575960 +0 -2.29279994 +0
H -1.74029443 +0 -0.51513681 +0 -0.50638354 +0
C 1.36928171 +0 -0.00039629 +0 2.63409373 +0
H 1.34919939 +0 -0.89194126 +0 3.25391085 +0
H -1.00767087 +0 0.00029164 +0 2.31570564 +0
H 1.34976217 +0 0.89222142 +0 3.25437157 +0
H 2.28609929 +0 -0.00035120 +0 2.04934547 +0
S 0.00000000 +0 0.00000000 +0 1.42848000 +0