| http://server.ccl.net/cca/software/SOURCES/to_do_2/xyz2rgb/globus-xyzs/ballv05.xyz.shtml |
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CCL ballv05.xyz | |||
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Energy: -455.6733667609587
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Energy: -454.3774415497991
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70
Energy: -462.6541387668369
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70
Energy: -462.3704195817901
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H 10.35466 5.44830 5.10574
C 11.21512 3.69071 4.22575
H 12.23204 3.95713 4.54225
C 11.08430 2.55253 3.41363
H 11.98318 1.84914 3.29574
C 9.89327 2.29831 2.74092
H 9.84386 1.36644 2.07024
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