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Originally posted by abbott at 2008-9-28 14:03:
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SCF Done: E(RHF) = -78.0315145604 A.U. after 9 cycles

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kaluoyi2008

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yuhuobuku

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Originally posted by kaluoyi2008 at 2008-9-28 09:33:
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abbott

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SCF Done: E(RHF) = -78.0315145604 A.U. after 9 cycles

Convg = 0.2319D-08 -V/T = 1.9998

S**2 = 0.0000
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5Â¥2008-09-28 14:03:05
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