Accuracy
rep739sys001g15pt100ab
169 rep739sys001g15pt100ab
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Geometry from http://www.nciatlas.org/
CHARGE=0
rep739sys001g15pt100ab
H=2.856+rep739sys001g15pt100a+rep739sys001g15pt100b HR=NCIA HWT=10
C -1.48554766 +0 -1.16448888 +0 0.02776725 +0
H -0.62954766 +1 -0.49348888 +0 0.01176725 +0
H -1.45254766 +0 -1.77248888 +1 0.92976725 +0
H -2.40354766 +0 -0.58248888 +0 0.01676725 +0
H -1.45554766 +0 -1.81148888 +0 -0.84623275 +0
C 1.46892760 +0 1.15146077 +0 -0.02745659 +0
H 0.61292760 +0 0.48046077 +0 -0.01145659 +0
H 1.13763843 +0 2.16651579 +0 0.18294256 +0
H 2.18761567 +0 0.84144827 +0 0.72683030 +0
H 1.93652871 +0 1.11941826 +0 -1.00914263 +0