Accuracy
rep739sys026g01pt100ab
492 rep739sys026g01pt100ab
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Geometry from http://www.nciatlas.org/
CHARGE=0
rep739sys026g01pt100ab
H=2.510+rep739sys026g01pt100a+rep739sys026g01pt100b HR=NCIA HWT=10
C -1.26483438 +0 0.00000000 +0 -1.40000000 +0
F 0.00000000 +1 0.00000000 +0 -1.40000000 +0
N -2.41546961 +0 0.00074570 +1 -1.40000000 +0
C 1.46070263 +0 0.00065817 +0 2.51393715 +0
C -1.30471982 +0 -0.00058789 +0 2.39192841 +0
H 1.17393054 +0 -0.00531598 +0 3.56350471 +0
H -2.30286168 +0 -0.00076969 +0 1.97263162 +0
H -1.24747575 +0 -0.00138801 +0 3.47379322 +0
H 2.07377665 +0 0.88079412 +0 2.31456321 +0
H 2.08000659 +0 -0.87378246 +0 2.30583339 +0
P 0.00000000 +0 0.00000000 +0 1.37138500 +0