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disable restart with set directive to keep same old output
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commit
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1 changed files with 5 additions and 0 deletions
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@ -1459,6 +1459,7 @@ geometry units au
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symmetry Td
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end
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set hess:restart f
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task scf freq
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geometry units au
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@ -1470,6 +1471,7 @@ geometry units au
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symmetry D2
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end
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set hess:restart f
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task scf freq
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geometry units au
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@ -1481,6 +1483,7 @@ geometry units au
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symmetry S4
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end
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set hess:restart f
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task scf freq
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geometry units au
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@ -1492,6 +1495,7 @@ geometry units au
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symmetry C2
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end
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set hess:restart f
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task scf freq
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geometry units au
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@ -1503,5 +1507,6 @@ geometry units au
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symmetry C1
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end
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set hess:restart f
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task scf freq
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