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molpro / iMolpro

GNU General Public License v3.0
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Input with thresholds not regenerated correctly #204

Closed pjknowles closed 9 months ago

pjknowles commented 9 months ago 
symmetry,nosym
geometry=ChemSpider-937.xyz
basis=cc-pV(T+d)Z-PP
gexpec,qm
gthresh,energy=1e-14
{df-rhf}