%chk=000183298.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183298

0 1
O -0.977608 -3.638393 -0.578281
N 3.605263 -0.545349 -0.386901
N -4.491832 -0.225053 0.407577
N -0.519299 1.713933 0.095520
N 1.458446 3.020642 0.186086
C 1.632757 0.610188 -0.140730
C 3.066237 0.730300 -0.190464
C 1.297512 -0.777439 -0.309916
C -3.392387 1.791260 1.366336
C 2.540367 -1.491642 -0.465198
C -2.852103 2.523971 0.131454
C -4.736496 1.099232 1.075913
C 0.854344 1.787637 0.047589
C -1.376552 2.912846 0.275275
C 3.684252 1.997323 -0.048517
C 0.087166 -1.474686 -0.343164
C -4.352333 -1.305440 1.442758
C -5.575579 -0.543851 -0.581954
C 2.574018 -2.877298 -0.655160
C 5.025843 -0.891585 -0.501945
C 2.819029 3.082435 0.135033
C 5.160006 2.199428 -0.087439
C 0.154992 -2.857801 -0.532100
C 1.366899 -3.567081 -0.688990
C -3.852180 -2.609059 0.819636
C -5.394573 0.303256 -1.842441
H -2.653200 1.044233 1.719576
H -3.517891 2.504920 2.202667
H -3.448667 3.437249 -0.058045
H -2.996372 1.886750 -0.768383
H -5.316442 1.000050 2.018679
H -5.351272 1.748570 0.414672
H -1.094406 3.683717 -0.481107
H -1.166994 3.370421 1.270001
H -0.980676 0.811515 -0.011115
H -0.861296 -0.959235 -0.229331
H -5.298792 -1.495696 1.995541
H -3.608919 -0.953480 2.194517
H -6.595729 -0.400490 -0.165367
H -5.497505 -1.620549 -0.856213
H 3.516322 -3.406463 -0.773581
H 5.154966 -1.977039 -0.653638
H 5.573791 -0.609846 0.415912
H 5.488045 -0.371764 -1.361192
H 3.222430 4.097610 0.253266
H 5.583543 1.882369 -1.049860
H 5.663040 1.642161 0.714141
H 5.432732 3.255991 0.044121
H 1.331656 -4.644009 -0.833999
H -3.614739 -3.346504 1.595922
H -2.939464 -2.439197 0.222125
H -4.597706 -3.056527 0.149902
H -6.094239 -0.004530 -2.626312
H -4.376166 0.199741 -2.241010
H -5.554676 1.369905 -1.648983
H -1.809660 -3.091545 -0.433581


%chk=000183298-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000183298

0 1
O -0.671974 -3.934640 -0.865319
N 3.739569 -0.563633 -0.120076
N -4.685796 -0.090921 0.432289
N -0.481270 1.609345 -0.483828
N 1.399424 2.945290 -0.017738
C 1.720000 0.539923 -0.249138
C 3.136754 0.708490 -0.054906
C 1.459063 -0.880135 -0.407885
C -3.102172 1.763843 1.133682
C 2.735845 -1.533304 -0.329040
C -2.841365 2.335584 -0.276880
C -4.503509 1.128646 1.273929
C 0.882411 1.701959 -0.252016
C -1.380273 2.774848 -0.505179
C 3.693268 2.003215 0.180350
C 0.293837 -1.671647 -0.583751
C -4.074762 -1.291456 1.064929
C -6.110696 -0.308686 0.052453
C 2.870030 -2.932587 -0.440437
C 5.149510 -0.937877 0.009573
C 2.745405 3.051533 0.197299
C 5.157829 2.324511 0.415014
C 0.433555 -3.073774 -0.693116
C 1.704976 -3.702715 -0.628085
C -3.781051 -2.423274 0.059842
C -6.587319 0.639673 -1.064205
H -2.318207 1.020686 1.378525
H -3.004135 2.571690 1.887377
H -3.497420 3.212047 -0.450554
H -3.135676 1.572070 -1.026362
H -4.707675 0.903518 2.350956
H -5.258647 1.874403 0.962162
H -1.290470 3.319967 -1.469215
H -1.041020 3.473559 0.279128
H -0.844088 0.738048 -0.867391
H -0.710601 -1.231578 -0.609041
H -4.714225 -1.687763 1.895148
H -3.122066 -0.977788 1.529646
H -6.785056 -0.216809 0.942039
H -6.211580 -1.348183 -0.308436
H 3.846110 -3.423942 -0.379319
H 5.305451 -1.580659 0.897338
H 5.776603 -0.045742 0.112177
H 5.483323 -1.494949 -0.886308
H 3.099441 4.072960 0.390407
H 5.795815 2.072199 -0.454644
H 5.571170 1.805826 1.301793
H 5.273638 3.408388 0.592893
H 1.751702 -4.791522 -0.719584
H -3.236795 -3.246952 0.560622
H -3.178460 -2.021172 -0.778361
H -4.702286 -2.850834 -0.373786
H -7.638071 0.422023 -1.332484
H -5.959371 0.514261 -1.963579
H -6.533870 1.700083 -0.758454
H -1.516920 -3.419941 -0.901160


