%chk=000182890.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182890

0 1
O 2.069955 -2.056875 -1.066579
O 1.827012 -1.237157 1.028887
O -4.100582 0.310494 -0.009072
C 3.430269 1.231528 -0.184271
C 4.438706 0.308158 0.501159
C 3.456042 -0.279992 -0.520531
C 3.887928 2.171746 -1.273115
C 2.288990 1.777057 0.638121
C 5.882343 0.341883 0.182127
C 2.383675 -1.180289 -0.047694
C 6.744185 1.220573 0.720038
C 8.203110 1.189951 0.382646
C 6.330517 2.277079 1.695971
C 1.005317 -3.028539 -0.834111
C -0.326797 -2.407345 -1.151616
C -0.966239 -1.613228 -0.190853
C -0.929388 -2.622929 -2.398914
C -2.214116 -1.042590 -0.475181
C -2.174664 -2.051694 -2.676591
C -2.819797 -1.264799 -1.719320
C -2.879589 -0.199082 0.579390
C -6.087368 1.536340 0.064292
C -4.877554 1.126430 0.904744
C -7.044922 2.422240 0.866680
C -8.260312 2.834184 0.023686
C -9.221605 3.718351 0.814500
H 4.247642 0.060645 1.560368
H 3.841047 -0.566212 -1.512402
H 4.786180 1.807264 -1.789148
H 4.134842 3.159650 -0.864683
H 3.105640 2.309460 -2.030548
H 2.591290 2.674789 1.189342
H 1.918580 1.048321 1.378233
H 1.433538 2.045739 0.005012
H 6.215940 -0.423885 -0.517343
H 8.499068 2.094143 -0.167107
H 8.820005 1.143320 1.290700
H 8.479675 0.328703 -0.238892
H 6.302700 1.869401 2.716963
H 7.014336 3.134014 1.705202
H 5.325001 2.664558 1.477378
H 1.293674 -3.836036 -1.532625
H 1.065537 -3.388715 0.211000
H -0.475683 -1.436239 0.770690
H -0.428923 -3.227150 -3.152720
H -2.643930 -2.218927 -3.644738
H -3.793283 -0.814681 -1.928661
H -2.241937 0.656080 0.874254
H -3.134468 -0.801838 1.472100
H -5.738740 2.058412 -0.849574
H -6.604649 0.626570 -0.301652
H -5.157801 0.519727 1.782375
H -4.270875 1.990908 1.223052
H -7.384880 1.889082 1.775732
H -6.516127 3.326445 1.225703
H -7.923329 3.368258 -0.886561
H -8.792155 1.931318 -0.335985
H -9.605103 3.204840 1.703506
H -8.737179 4.641461 1.152468
H -10.085648 4.006478 0.204969


%chk=000182890-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000182890

0 1
O 2.229207 -1.757073 -0.915146
O 2.029557 -0.502734 1.051221
O -4.344760 0.299350 -0.113382
C 3.596091 1.705387 -0.660337
C 4.590496 0.945966 0.234983
C 3.620881 0.144150 -0.701411
C 4.093774 2.404537 -1.925399
C 2.434006 2.426554 0.019644
C 6.056367 0.904368 0.000085
C 2.564354 -0.684396 -0.075964
C 7.036178 0.809631 0.948905
C 8.501941 0.784416 0.546948
C 6.790169 0.724754 2.444582
C 1.157583 -2.692180 -0.408728
C -0.222651 -2.247116 -0.838881
C -0.977093 -1.367311 -0.025098
C -0.778067 -2.709159 -2.059384
C -2.269187 -0.942077 -0.417235
C -2.065541 -2.287925 -2.454954
C -2.812283 -1.407256 -1.638329
C -3.046271 0.001221 0.485827
C -6.489439 1.423751 0.008952
C -5.157454 1.188379 0.726285
C -7.441772 2.338181 0.813024
C -8.791716 2.574368 0.097516
C -9.745932 3.484131 0.900678
H 4.269935 0.896460 1.282021
H 4.051644 -0.295381 -1.605281
H 4.882666 1.835555 -2.447176
H 4.504425 3.401658 -1.677117
H 3.258212 2.546565 -2.635632
H 2.758171 3.433717 0.343521
H 2.069995 1.873734 0.901176
H 1.586991 2.551184 -0.681747
H 6.377486 0.954782 -1.051080
H 9.056545 1.625891 1.008886
H 8.993212 -0.145858 0.896259
H 8.630932 0.849828 -0.547400
H 7.245745 -0.195699 2.860760
H 7.270281 1.576638 2.966744
H 5.722359 0.722423 2.715146
H 1.439354 -3.652969 -0.867618
H 1.247264 -2.742232 0.690176
H -0.532654 -1.007358 0.911759
H -0.199862 -3.391286 -2.694606
H -2.492657 -2.646927 -3.398207
H -3.812123 -1.074660 -1.929539
H -2.471440 0.943758 0.638376
H -3.188951 -0.462631 1.489246
H -6.284536 1.869516 -0.983682
H -6.970862 0.443241 -0.172841
H -5.324750 0.717813 1.722411
H -4.620811 2.151366 0.888232
H -7.633734 1.891337 1.811193
H -6.952615 3.317628 0.998241
H -8.601666 3.022073 -0.899086
H -9.279691 1.596163 -0.089108
H -9.972562 3.045287 1.890845
H -9.295255 4.480237 1.071100
H -10.704384 3.633626 0.370428


