%chk=000183208.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183208

0 1
O -2.701530 0.748160 2.258171
C -2.547820 0.634898 -0.196857
C -2.796347 1.516523 1.054315
C -2.708533 1.466247 -1.485642
C -1.218290 -0.092828 -0.145162
C -4.184051 2.179120 0.991492
C -4.087729 2.135181 -1.540181
C -4.343117 2.995482 -0.294613
C 0.002469 0.567148 -0.111567
C -1.247908 -1.537951 -0.127687
C 1.239274 -0.184187 -0.047087
C -0.040889 -2.279624 -0.060015
C 1.220600 -1.586682 -0.018845
C 2.509336 0.509188 -0.008428
C 0.120958 2.024288 -0.136538
C 2.562615 1.936484 -0.034256
C -2.479376 -2.270822 -0.179102
C 3.722979 -0.222458 0.057525
C 2.469623 -2.309121 0.050042
C 1.305734 2.667758 -0.100709
C -0.098087 -3.710273 -0.035005
C 3.665327 -1.663965 0.086154
C -2.510037 -3.641740 -0.156225
C 3.792131 2.591596 0.004050
C -1.295697 -4.377667 -0.080234
C 4.958240 0.467705 0.095001
C 4.987440 1.852854 0.068532
H -3.381002 -0.126171 -0.211297
H -1.991713 2.274190 1.201553
H -2.562994 0.811927 -2.366392
H -1.915289 2.238101 -1.551825
H -4.318208 2.823132 1.882077
H -4.977321 1.412558 1.062666
H -4.878669 1.366525 -1.634512
H -4.163738 2.759423 -2.450787
H -3.646418 3.856181 -0.282443
H -5.359740 3.430441 -0.338851
H -0.810098 2.599920 -0.187502
H -3.200583 -0.086681 2.198299
H -3.416264 -1.706580 -0.244165
H 2.426718 -3.400845 0.073505
H 1.361110 3.756099 -0.118319
H 0.840107 -4.266974 0.022126
H 4.603535 -2.214666 0.138524
H -3.453955 -4.182328 -0.196435
H 3.835630 3.678929 -0.014298
H -1.334818 -5.465201 -0.059808
H 5.885024 -0.100939 0.145899
H 5.939570 2.381642 0.098354


%chk=000183208-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000183208

0 1
O -2.550595 0.856256 2.333972
C -2.548133 0.692639 -0.166741
C -2.764080 1.607032 1.082469
C -2.858771 1.431792 -1.509067
C -1.222758 -0.085442 -0.170691
C -4.172479 2.239685 1.052388
C -4.259303 2.087331 -1.487436
C -4.429977 3.015088 -0.261768
C 0.037174 0.574928 -0.152729
C -1.255026 -1.537035 -0.179433
C 1.279780 -0.185942 -0.049949
C -0.023817 -2.305376 -0.085384
C 1.249788 -1.617551 0.007745
C 2.550411 0.501601 0.008530
C 0.160737 2.024208 -0.232014
C 2.614860 1.940085 -0.059689
C -2.485073 -2.280702 -0.306100
C 3.781010 -0.240006 0.137869
C 2.496580 -2.331512 0.144483
C 1.376047 2.671561 -0.193494
C -0.096860 -3.737545 -0.088970
C 3.713236 -1.674825 0.208570
C -2.519857 -3.674985 -0.315053
C 3.869244 2.597475 -0.002025
C -1.309592 -4.418014 -0.196086
C 5.024647 0.454358 0.196815
C 5.067611 1.858086 0.126770
H -3.367166 -0.045326 -0.066606
H -2.005993 2.403592 1.147298
H -2.791007 0.699180 -2.336111
H -2.096404 2.202964 -1.722247
H -4.283475 2.896434 1.934899
H -4.929394 1.431400 1.152285
H -5.037210 1.296371 -1.451512
H -4.421813 2.651954 -2.425742
H -3.718636 3.863616 -0.337943
H -5.446139 3.453423 -0.248842
H -0.737547 2.629061 -0.347726
H -3.127742 0.049183 2.323914
H -3.434945 -1.753873 -0.423996
H 2.491511 -3.422535 0.203146
H 1.419980 3.764823 -0.264304
H 0.821777 -4.324848 -0.015279
H 4.644647 -2.243078 0.314536
H -3.476789 -4.197646 -0.421545
H 3.900935 3.691953 -0.056142
H -1.331117 -5.513028 -0.199461
H 5.950703 -0.123281 0.298809
H 6.029220 2.380468 0.173087


