Accuracy
rep739sys025g06pt100ab
489 rep739sys025g06pt100ab
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Geometry from http://www.nciatlas.org/
CHARGE=0
rep739sys025g06pt100ab
H=1.944+rep739sys025g06pt100a+rep739sys025g06pt100b 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 1.15761692 +0 -0.00019846 +0 2.04521915 +0
H 1.21133312 +0 -0.89071627 +0 2.67819355 +0
H -0.78050167 +0 0.00013380 +0 1.77604595 +0
H 1.20944959 +0 0.88918196 +0 2.67904393 +0
H 2.01775791 +0 0.00144071 +0 1.38029526 +0
O 0.00000000 +0 0.00000000 +0 1.21894800 +0