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Ec/benzene/cc-pvdz
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2487 7acf27006e 6-31g furan
2021-01-02 15:30:56 +01:00
..
benzene.ang
update benzene loc
2020-11-14 10:54:19 +01:00
benzene.fc.out
benzene and furan
2020-10-26 21:58:41 +01:00
benzene.fci.out
localization scripts
2020-11-04 16:04:33 +01:00
benzene.localized.nofci.out
update
2020-11-26 20:15:38 +01:00
benzene.mo
update benzene loc
2020-11-14 10:54:19 +01:00
benzene.natorb.out
update T2
2020-11-10 20:33:15 +01:00
benzene.nofci.out
update benzene loc
2020-11-14 10:51:02 +01:00
benzene.restart2.nofci.out
6-31g furan
2021-01-02 15:30:56 +01:00
benzene.restart.nofci.out
update benzene furan
2020-12-12 09:13:25 +01:00
benzene.scf.out
benzene
2020-11-03 22:26:03 +01:00
benzene.xyz
benzene
2020-11-03 22:26:03 +01:00
localize.sh
update benzene loc
2020-11-14 10:54:19 +01:00
run_fci.sh
benzene and furan
2020-10-26 21:58:41 +01:00
run_loc.sh
update benzene loc
2020-11-14 10:54:19 +01:00
run_restart.sh
update benzene furan
2020-12-12 09:13:25 +01:00
slurm-490111.out
update benzene loc
2020-11-14 10:51:02 +01:00