%chk=000179152.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179152

0 1
O 2.979573 2.092105 0.370047
O 1.666134 0.809378 1.635493
C 0.775982 -0.432469 -1.209575
C 2.034420 -1.249018 -0.855386
C 2.053057 0.285934 -0.751733
C -0.248241 -0.791068 -0.170776
C 1.664135 -2.039601 0.360409
C -1.486941 -0.287480 -0.076451
C 0.387235 -1.791045 0.721273
C 2.146349 0.993866 0.544086
C -2.066071 0.744353 -1.007806
C -2.493420 -0.664425 0.977052
C -3.452643 1.114057 -0.446509
C -3.811605 0.034711 0.593850
H 0.423417 -0.263409 -2.223645
H 2.688723 -1.721172 -1.583666
H 2.623615 0.816818 -1.537347
H 2.367115 -2.705359 0.826460
H -0.145934 -2.216476 1.555361
H -1.410517 1.631978 -1.078919
H -2.146902 0.335343 -2.032904
H -2.620707 -1.759519 1.046618
H -2.139357 -0.329321 1.972791
H -3.422774 2.111579 0.026027
H -4.209046 1.169376 -1.245460
H -4.524695 -0.692437 0.168151
H -4.303792 0.475271 1.475823
H 3.093592 2.617029 1.203135


%chk=000179152-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179152

0 1
O 3.245416 2.048300 0.330626
O 1.600131 0.958150 1.562022
C 0.769838 -0.440733 -1.190828
C 2.019270 -1.264144 -0.857047
C 2.073021 0.314716 -0.778937
C -0.250696 -0.792475 -0.134998
C 1.671831 -2.035661 0.378886
C -1.521150 -0.291564 -0.055564
C 0.386388 -1.760676 0.774157
C 2.224222 1.074645 0.481314
C -2.122766 0.739985 -1.009137
C -2.555775 -0.652650 1.008589
C -3.453513 1.172955 -0.332388
C -3.893373 -0.091472 0.452475
H 0.441570 -0.268140 -2.219893
H 2.668939 -1.700007 -1.621185
H 2.623068 0.766744 -1.609190
H 2.378393 -2.689543 0.895327
H -0.092433 -2.146301 1.677895
H -1.438828 1.588030 -1.198102
H -2.330630 0.272492 -1.995496
H -2.594175 -1.736449 1.221788
H -2.301333 -0.145223 1.962382
H -3.261704 2.002522 0.374723
H -4.210909 1.517888 -1.058143
H -4.352157 -0.823642 -0.239941
H -4.628764 0.127215 1.246678
H 3.326822 2.544042 1.190387


