CAMXAP

DOI: 10.14469/hpc/15639 Metadata

Created: 2025-12-23 07:48

Last modified: 2025-12-23 08:25

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

Gaussian 16 (C01) calculation

Files

FilenameSizeTypeDescription
CAMXAP01.search2-2.gjf 2KB chemical/x-gaussian-input Gaussian input file
CAMXAP01.search2-2.log 1MB chemical/x-gaussian-log Gaussian log file
checkpoint.fchk 32MB chemical/x-gaussian-checkpoint Formatted checkpoint file
opt.cml 4KB chemical/x-cml Optimised geometry
Rawbinaryarray.baf 50MB chemical/x-rawbinaryarray Raw Binary Array File

Member of collection / collaboration

DOIDescription
10.14469/hpc/333 blog

Subject Keywords

KeywordValue
Gibbs_Energy -2506.739952
inchi InChI=1S/C6H6.2C5H5.2V/c1-2-4-6-5-3-1;2*1-2-4-5-3-1;;/h1-6H;2*1-5H;;
inchikey YVWSEVDMQRZOPY-UHFFFAOYSA-N

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