%chk=000215721.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215721

0 1
O -2.011419 3.820431 -0.865414
O -0.111802 1.899766 -0.780238
O 5.249384 -0.871350 1.142669
N -4.047445 0.160468 0.050886
C -4.447614 -1.131866 0.685928
C -4.066755 1.313647 1.000350
C -3.633789 2.599135 0.286181
C -3.945691 -2.284509 -0.219694
C -2.363885 2.455602 -0.561420
C -5.965360 -1.247448 0.904486
C -2.474050 -2.529578 -0.023721
C -1.203304 1.780836 0.189401
C -2.036325 -3.517535 0.871846
C -1.529941 -1.769173 -0.731020
C 1.109209 1.372273 -0.458215
C -0.668738 -3.743507 1.051888
C -0.164676 -1.999645 -0.547325
C 0.269527 -2.986744 0.343617
C 2.075108 1.568126 -1.470699
C 1.414819 0.696142 0.731638
C 3.694331 0.397992 -0.086823
C 3.358912 1.078760 -1.271581
C 2.711030 0.212061 0.901557
C 5.052326 -0.155730 0.180781
C 6.160705 0.216014 -0.786028
C 7.512398 -0.322688 -0.334450
H -3.932170 -1.209618 1.679676
H -3.364918 1.084118 1.833845
H -5.062729 1.477900 1.469840
H -4.444835 2.977112 -0.370022
H -3.477014 3.408089 1.032174
H -4.522144 -3.205459 -0.000606
H -4.157859 -2.059544 -1.284609
H -4.640168 0.361712 -0.760768
H -2.554744 1.929772 -1.524502
H -6.222458 -2.174889 1.428483
H -6.350299 -0.421314 1.511532
H -6.519844 -1.247194 -0.039832
H -0.916952 2.315143 1.108042
H -1.401326 0.708692 0.382229
H -2.758792 -4.110591 1.427068
H -1.867791 -0.990987 -1.414924
H -1.122746 3.852635 -1.285120
H -0.333767 -4.512373 1.745908
H 0.565390 -1.406566 -1.097776
H 1.333909 -3.163949 0.484253
H 1.797282 2.092827 -2.381290
H 0.668812 0.533419 1.503397
H 4.106189 1.226411 -2.053103
H 2.978541 -0.327499 1.818136
H 6.209096 1.319529 -0.890147
H 5.914983 -0.178409 -1.793803
H 8.299904 -0.092155 -1.058486
H 7.479838 -1.412932 -0.197952
H 7.805955 0.098846 0.636260


%chk=000215721-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000215721

0 1
O -2.027952 3.712298 -1.021459
O -0.036586 1.802278 -0.857237
O 5.581177 -0.380925 1.475798
N -4.209178 0.121993 0.149835
C -4.680309 -1.164748 0.725054
C -4.008642 1.231512 1.108388
C -3.551361 2.521664 0.396272
C -4.226137 -2.353593 -0.178987
C -2.338625 2.357179 -0.535276
C -6.215038 -1.201084 0.956827
C -2.727740 -2.601428 -0.122941
C -1.116131 1.749676 0.161325
C -2.189055 -3.512142 0.823828
C -1.829568 -1.902411 -0.970556
C 1.243709 1.370474 -0.505303
C -0.793619 -3.713605 0.929796
C -0.433246 -2.098746 -0.868157
C 0.090590 -3.004000 0.084398
C 2.231481 1.495728 -1.516293
C 1.584245 0.830614 0.762911
C 3.915804 0.549316 0.007981
C 3.550683 1.089541 -1.258713
C 2.909532 0.428733 1.004045
C 5.308757 0.102654 0.335181
C 6.398003 0.241774 -0.737345
C 7.780112 -0.237047 -0.261893
H -4.172698 -1.276094 1.704164
H -3.240662 0.906547 1.838409
H -4.921795 1.476415 1.706275
H -4.378397 2.936333 -0.212411
H -3.307918 3.290329 1.154471
H -4.769068 -3.260949 0.149852
H -4.551930 -2.139336 -1.216320
H -4.798648 0.409919 -0.646287
H -2.597304 1.697197 -1.388912
H -6.519669 -2.107902 1.511834
H -6.548964 -0.320456 1.536191
H -6.754270 -1.201470 -0.010607
H -0.815219 2.354465 1.040053
H -1.304362 0.698221 0.444259
H -2.869133 -4.070908 1.480156
H -2.231107 -1.194010 -1.703600
H -1.187241 3.649614 -1.545687
H -0.397386 -4.423690 1.664879
H 0.245777 -1.547212 -1.528631
H 1.173122 -3.153948 0.164819
H 1.941540 1.911967 -2.485925
H 0.829756 0.711779 1.545035
H 4.298232 1.196594 -2.051295
H 3.198426 0.008011 1.973123
H 6.444483 1.303517 -1.055915
H 6.079783 -0.326007 -1.636093
H 8.528794 -0.123008 -1.066348
H 7.746289 -1.296968 0.042412
H 8.114959 0.339555 0.617122


