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ZBRENT: can't locate minimum, use default step
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step:   4.0000(harm=  4.0000)  dis= 1.93315  next Energy=************* (dE=-0.154E+13)
bond charge predicted
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2Â¥: Originally posted by binarec at 2015-12-01 08:43:35
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4Â¥: Originally posted by binarec at 2015-12-03 00:22:33
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