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dc.contributor.authorBesalú-Sala, Pau-
dc.coverage.spatialES Girona-
dc.date.accessioned2023-02-13T15:36:35Z-
dc.date.available2023-02-13T15:36:35Z-
dc.date.created2023-02-13T16:36:33.605+01:00-
dc.date.issued2023-02-13T16:36:33.605+01:00-
dc.identifier.urihttps://iochem.udg.edu:8443/browse/handle/100/4229-
dc.descriptionpmi2-
dc.publisherUdG-
dc.rightsCC BY 4.0 (c) UdG, 2023-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.titlepmi2-
dc.typedataset-
dc.date.updated2023-02-13T15:36:34Z-
cml.program.nameGaussianen
cml.program.version16en
cml.program.otherES64L-G16RevA.03en
cml.methodRHFen
cml.basissetAUG-CC-PVDZen
cml.multiplicity1en
cml.spintypeRestricteden
cml.shelltypeCloseden
cml.charge0en
cml.energy.value-186.9396467en
cml.energy.unitsEhen
cml.formula.genericC2H4N2en
cml.calculationtypeSingle point Structureen
cml.hassolventfalseen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:Beta_and_Gamma_NLO_sets_dipole_oriented - DOI: 10.19061/iochem-bd-4-53



Please use this identifier to cite or link to this item: https://iochem.udg.edu/browse/handle/100/4229

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