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initial test used
! DLPNO-CCSD cc-pVDZ cc-pVDZ/C RIJCOSX def2/J TIGHTSCF
due to the recommendation here -
now trying
! DLPNO-CCSD cc-pVDZ cc-pVDZ/C TIGHTSCF
awallace3 / dlpno_testing Goto Github PK
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