improved numerics [ci skip]

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edoapra 2025-09-22 16:54:49 -07:00
parent 4137074569
commit 568f126ebe
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2 changed files with 605 additions and 820 deletions

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@ -11,7 +11,7 @@ iterations 1000
end
geometry nocenter noautosym noautoz
geometry noautoz
C 0.93300 0.53200 -1.40700
H 1.44900 0.44900 -2.39500
O 0.72500 1.63600 -0.86500

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