%chk=000179566.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179566

0 1
O 0.992730 -0.307483 2.235521
O -1.379137 -2.960504 -0.954470
C 2.325113 1.174731 0.303953
C 3.746135 0.882188 -0.223621
C 1.832870 2.543125 -0.224161
C 4.343059 -0.375335 0.420854
C 1.356816 0.075741 -0.069294
C 5.773552 -0.635531 -0.070645
C 0.687400 -0.655494 0.940030
C 1.075033 -0.246309 -1.398864
C 0.467104 2.877258 0.297162
C -0.233708 -1.681389 0.661024
C 6.368575 -1.889789 0.566089
C 0.166832 -1.257746 -1.731241
C -0.473053 -1.954277 -0.699832
C -0.501169 3.396048 -0.463286
C -0.931079 -2.443540 1.734456
C -1.873879 3.713907 0.060776
C -2.854234 2.687592 -0.434249
C -4.520546 0.854097 -0.113767
C -4.044241 -0.547807 0.298871
C -3.561828 1.898174 0.378500
C -4.973052 -1.644452 -0.238749
C -4.487475 -3.034759 0.165188
H 2.377825 1.236776 1.424768
H 3.731146 0.770172 -1.323709
H 4.398849 1.752337 -0.017675
H 1.852247 2.551239 -1.331406
H 2.542422 3.336517 0.092016
H 4.334145 -0.276044 1.523511
H 3.701286 -1.250765 0.198086
H 5.779881 -0.738241 -1.173319
H 6.415161 0.238197 0.155906
H 1.572028 0.303194 -2.199762
H 0.313919 2.656520 1.354711
H 6.411734 -1.805619 1.657933
H 7.388408 -2.070146 0.209327
H 5.775104 -2.780771 0.330850
H -0.036627 -1.488412 -2.770222
H -0.360670 3.599796 -1.523456
H -2.022069 -2.295093 1.673673
H -0.604686 -2.148030 2.742285
H -0.754323 -3.525149 1.624775
H -1.875340 3.770501 1.169069
H -2.185939 4.723718 -0.282901
H 0.477760 -0.865603 2.887164
H -5.529883 1.052626 0.301000
H -4.637308 0.901911 -1.214797
H -2.932333 2.620300 -1.518950
H -3.011363 -0.713455 -0.072019
H -3.979768 -0.613946 1.401243
H -3.471352 1.957989 1.462824
H -6.003908 -1.483736 0.131835
H -5.034405 -1.576617 -1.342346
H -1.517441 -3.088912 -1.925609
H -4.527456 -3.177454 1.250128
H -5.098695 -3.819168 -0.292313
H -3.444965 -3.201677 -0.147463


%chk=000179566-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179566

0 1
O 0.906255 -0.227931 2.210776
O -1.252365 -3.048381 -1.110043
C 2.431353 1.204913 0.266133
C 3.890067 0.923886 -0.196844
C 1.931931 2.579533 -0.291000
C 4.518328 -0.327946 0.453873
C 1.476834 0.072489 -0.112630
C 5.973072 -0.582856 -0.002030
C 0.721136 -0.621687 0.867384
C 1.290305 -0.318833 -1.457641
C 0.582820 2.986111 0.263592
C -0.187271 -1.669591 0.554650
C 6.596132 -1.834744 0.652724
C 0.397271 -1.348410 -1.820851
C -0.335035 -2.012502 -0.810272
C -0.512142 3.288626 -0.479553
C -0.968375 -2.381515 1.642942
C -1.879013 3.649699 0.083536
C -2.949071 2.669273 -0.373565
C -4.708170 0.858043 -0.027181
C -4.300553 -0.596655 0.334333
C -3.692890 1.879371 0.443189
C -5.322754 -1.649863 -0.150728
C -4.896893 -3.094577 0.191779
H 2.439056 1.280109 1.370036
H 3.919645 0.817923 -1.301735
H 4.511634 1.811422 0.045851
H 1.890110 2.545288 -1.397995
H 2.694783 3.341501 -0.022381
H 4.492723 -0.217805 1.557992
H 3.899184 -1.216016 0.216078
H 5.994543 -0.692533 -1.105991
H 6.592923 0.306873 0.233469
H 1.853987 0.195761 -2.244321
H 0.503219 3.003476 1.362721
H 6.614490 -1.736910 1.754750
H 7.634548 -1.999689 0.310235
H 6.010411 -2.741023 0.407973
H 0.270846 -1.627257 -2.874751
H -0.438879 3.245218 -1.578411
H -1.659377 -1.694569 2.173089
H -0.300995 -2.851343 2.394277
H -1.582594 -3.182308 1.205643
H -1.836376 3.676296 1.188815
H -2.155369 4.671963 -0.255676
H 0.324438 -0.759960 2.808463
H -5.700648 1.067644 0.425888
H -4.835886 0.938969 -1.125212
H -3.094935 2.589752 -1.463228
H -3.307297 -0.814384 -0.105873
H -4.181891 -0.681142 1.435707
H -3.537261 1.945493 1.532733
H -6.315197 -1.433568 0.296111
H -5.448384 -1.551537 -1.248760
H -1.265233 -3.220606 -2.083456
H -4.818475 -3.233702 1.287277
H -5.625604 -3.834114 -0.189325
H -3.907914 -3.324275 -0.247161


