Accuracy
rep739sys003g09pt100ab
194 rep739sys003g09pt100ab
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Geometry from http://www.nciatlas.org/
CHARGE=0
rep739sys003g09pt100ab
H=1.845+rep739sys003g09pt100a+rep739sys003g09pt100b HR=NCIA HWT=10
C -1.70000000 +0 0.00000000 +0 0.00000000 +0
H -2.78776514 +1 0.00000000 +0 0.00000000 +0
H -1.33764972 +0 1.02618677 +1 0.00000000 +0
H -1.33676902 +0 -0.51227405 +0 0.88724718 +0
H -1.33735462 +0 -0.51197956 +0 -0.88867894 +0
C 1.30118709 +0 -0.00044039 +0 0.00032617 +0
C 1.30169076 +0 0.96027114 +0 -0.71182838 +0
H 1.30074004 +0 -0.85272907 +0 0.63299812 +0
H 1.30224553 +0 1.81312943 +0 -1.34368551 +0