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berquistberquist
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Merge pull request #220 from berquist/1615-gaussian-metadata-functional
Gaussian: UCCSD(T) output with unexpected methods in metadata
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‎Gaussian/Gaussian16/1615.gjf‎

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%Chk=/scratch/gpfs/yp1065/TMD/pair_pot_Gaussian/H-F/UCCSDTfull-H-F-S1-ID2/d0.25/single_E.chk
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%Mem=8GB
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%NProcShared=14
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# UCCSD(T,full)/aug-cc-pVQZ
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# Guess=Mix Int=(DKH,Grid=UltraFine)
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# SCF=XQC NoSymm geom=nocrowd
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H - F single point at R = 0.25 A
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0 1
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H
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F 1 0.25
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