Accuracy
rep739sys028g03pt100ab
508 rep739sys028g03pt100ab
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Geometry from http://www.nciatlas.org/
CHARGE=0
rep739sys028g03pt100ab
H=0.978+rep739sys028g03pt100a+rep739sys028g03pt100b 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 1.39018488 +0 -0.00009137 +0 1.00996000 +0
F 0.00000000 +0 0.00000000 +0 1.00996000 +0
H 1.74003346 +0 1.03099930 +0 1.00996000 +0
H 1.74055833 +0 -0.51587400 +0 1.90275994 +0
H 1.74026057 +0 -0.51525119 +0 0.11634354 +0