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improved numerics [ci skip]
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2 changed files with 605 additions and 820 deletions
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@ -11,7 +11,7 @@ iterations 1000
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end
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geometry nocenter noautosym noautoz
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geometry noautoz
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C 0.93300 0.53200 -1.40700
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H 1.44900 0.44900 -2.39500
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O 0.72500 1.63600 -0.86500
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