%chk=000291628.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291628

0 1
O -0.381024 1.757069 -2.311206
O 1.868775 1.835286 -2.066608
O -2.530936 -2.091781 -2.407108
O 1.378237 1.158061 2.835620
O 4.594344 -0.449717 1.264902
O -1.745420 -2.221464 -0.289598
O 2.812191 -1.742240 0.739965
N 1.237335 0.735407 0.615143
C 0.467618 0.394587 -0.596117
C 0.757739 -1.023134 -1.125710
C -0.293113 -1.483967 -2.131610
C 2.711648 0.725201 0.549970
C 0.797769 1.410805 -1.705052
C 0.645966 0.925453 1.892045
C -0.844204 0.888268 1.987303
C -1.548630 -1.960646 -1.453554
C 3.302714 -0.642990 0.847450
C -0.344994 2.732013 -3.405849
C -1.531869 2.086677 2.226869
C -1.534409 -0.328190 1.921464
C -2.918972 2.064679 2.390139
C -2.922623 -0.341556 2.091600
C -3.863537 -2.512514 -1.971998
C -0.178060 4.126468 -2.843029
C 5.400102 -1.625661 1.599443
C -3.613597 0.851080 2.324819
C -4.593212 -1.335997 -1.358411
C 5.900865 -2.283317 0.330930
H -0.636870 0.481817 -0.364260
H 1.769864 -1.078561 -1.575568
H 0.807917 -1.732191 -0.258810
H 0.110809 -2.312605 -2.756505
H -0.545166 -0.676187 -2.858714
H 3.070373 1.075183 -0.454743
H 3.115934 1.465860 1.295658
H -1.335442 2.559854 -3.865693
H 0.468497 2.449886 -4.097235
H -0.984283 3.027079 2.294567
H -1.002661 -1.265274 1.724194
H -3.458198 2.992048 2.576124
H -3.457713 -1.290109 2.040036
H -4.299503 -2.846298 -2.931275
H -3.754006 -3.359631 -1.271749
H -0.912755 4.335678 -2.054434
H 0.820345 4.261613 -2.399397
H -0.296683 4.890529 -3.620824
H 4.788135 -2.303802 2.220657
H 6.203459 -1.158424 2.198456
H -4.694336 0.836835 2.460271
H -4.122900 -1.024042 -0.413105
H -4.583294 -0.463529 -2.024727
H -5.639696 -1.580639 -1.142768
H 5.076278 -2.751367 -0.226704
H 6.376690 -1.556119 -0.339626
H 6.636200 -3.066683 0.549764


%chk=000291628-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000291628

0 1
O -0.637340 1.895842 -2.027880
O 1.521225 1.235389 -2.624189
O -2.486302 -2.314470 -2.683860
O 1.428472 1.930490 2.355192
O 4.714647 -0.274201 0.940323
O -1.859696 -2.379989 -0.438863
O 2.786730 -1.472898 1.490386
N 1.185059 0.663542 0.425810
C 0.367162 0.147334 -0.704009
C 0.766414 -1.287801 -1.124772
C -0.176865 -1.887684 -2.187735
C 2.647427 0.702605 0.278831
C 0.508981 1.125278 -1.888742
C 0.661483 1.272121 1.582324
C -0.800523 1.125914 1.911910
C -1.563512 -2.207063 -1.645432
C 3.337173 -0.477117 0.973016
C -0.610927 2.973638 -3.073535
C -1.478318 2.269653 2.408108
C -1.475805 -0.120958 1.868842
C -2.824972 2.178381 2.816607
C -2.820798 -0.212081 2.290874
C -3.897793 -2.639529 -2.296719
C -0.010331 4.256882 -2.495181
C 5.564460 -1.334004 1.570482
C -3.501388 0.936008 2.757055
C -4.661159 -1.366502 -1.920803
C 5.866043 -2.453349 0.570435
H -0.685304 0.169143 -0.388344
H 1.791445 -1.278262 -1.537889
H 0.775126 -1.920476 -0.220877
H 0.253239 -2.838545 -2.559995
H -0.279675 -1.238525 -3.075807
H 2.925629 0.714422 -0.789087
H 3.031243 1.629310 0.739606
H -1.671820 3.093217 -3.343529
H -0.031281 2.606615 -3.938610
H -0.931622 3.215478 2.482767
H -0.962431 -1.025917 1.529126
H -3.343076 3.068614 3.190219
H -3.327036 -1.182463 2.255586
H -4.307163 -3.119169 -3.199886
H -3.875013 -3.357901 -1.458476
H -0.555454 4.572246 -1.589206
H 1.053382 4.114448 -2.240911
H -0.079570 5.069230 -3.242141
H 5.037219 -1.719039 2.460753
H 6.473273 -0.789160 1.871195
H -4.545532 0.862905 3.082157
H -4.236857 -0.906174 -1.012713
H -4.629436 -0.630953 -2.742924
H -5.720141 -1.614274 -1.719921
H 4.943354 -2.990556 0.293604
H 6.335873 -2.050002 -0.343193
H 6.563777 -3.180844 1.025429


