%chk=000195440.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195440

0 1
O 5.363939 1.231771 0.555635
O 5.427187 -1.285137 0.724873
O -3.628799 -2.182066 0.999892
N -5.695685 -0.107131 -0.122246
N -6.078104 1.191605 -0.077433
C 2.303919 -0.519053 -0.559319
C 2.912855 0.704959 0.198249
C 0.886476 -0.830680 -0.055523
C -0.010727 0.409572 -0.340282
C -1.477053 0.165045 0.149777
C 4.384142 0.681857 -0.346447
C 2.059002 1.935566 -0.141216
C 0.593376 1.696407 0.264839
C -2.016812 -1.114017 -0.574051
C 3.377190 -1.614054 -0.445154
C 0.316596 -2.078965 -0.750491
C 4.721499 -0.856356 -0.444738
C -1.127920 -2.340143 -0.318681
C -2.351594 1.390271 -0.269812
C 2.962433 0.500231 1.721130
C -3.491937 -1.471788 -0.237439
C -1.528302 0.008795 1.677211
C 4.612563 1.402498 -1.666292
C -3.796405 1.083369 -0.195969
C -4.307978 -0.223871 -0.195767
C -4.934454 1.942429 -0.126409
H 2.219287 -0.247467 -1.643569
H 0.912209 -1.018308 1.044840
H -0.048745 0.546810 -1.449702
H 2.112091 2.159951 -1.223177
H 2.447919 2.833489 0.372224
H 0.522584 1.658293 1.370194
H -0.007090 2.572262 -0.045993
H -1.997218 -0.889901 -1.672367
H 3.282106 -2.194830 0.493540
H 3.317871 -2.344563 -1.265019
H 0.941790 -2.960166 -0.508974
H 0.370374 -1.966117 -1.849875
H 5.358984 -1.094196 -1.317039
H -1.530836 -3.217232 -0.861855
H -1.169761 -2.621922 0.752450
H -2.097575 1.700823 -1.305929
H -2.110636 2.263062 0.370219
H 3.441903 1.347628 2.225320
H 1.959411 0.388427 2.148023
H 3.529484 -0.408512 1.981851
H -3.891074 -2.216537 -0.968005
H -1.241994 0.934555 2.188694
H -2.542135 -0.244296 2.021983
H -0.847039 -0.778841 2.022311
H 5.670866 1.338221 -1.958633
H 4.009673 0.986240 -2.478975
H 4.387884 2.472598 -1.580576
H 4.941833 1.647325 1.338434
H 6.023966 -0.553835 1.040504
H -3.288406 -1.629719 1.750221
H -4.954801 3.017952 -0.110799
H -6.371134 -0.854010 -0.063258


%chk=000195440-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000195440

0 1
O 5.389399 1.453984 0.482612
O 5.646300 -1.212268 0.689934
O -3.762552 -2.329542 0.892647
N -5.731375 -0.131145 -0.228949
N -6.177000 1.182518 -0.157288
C 2.329704 -0.499380 -0.447457
C 2.940483 0.763823 0.234716
C 0.893587 -0.826105 0.015235
C -0.021993 0.415641 -0.244837
C -1.516526 0.168255 0.201586
C 4.406772 0.747380 -0.355599
C 2.053294 1.976594 -0.125136
C 0.582422 1.738711 0.312670
C -2.032986 -1.112231 -0.564267
C 3.426050 -1.581289 -0.287642
C 0.333621 -2.065029 -0.723734
C 4.760149 -0.808099 -0.423326
C -1.133623 -2.351014 -0.349628
C -2.382635 1.399551 -0.244375
C 3.033447 0.618775 1.781029
C -3.530215 -1.481279 -0.311022
C -1.636162 0.001215 1.743351
C 4.554443 1.399300 -1.737063
C -3.856929 1.084906 -0.220264
C -4.350313 -0.229195 -0.265603
C -5.017644 1.916560 -0.158550
H 2.250717 -0.264542 -1.534198
H 0.909635 -1.052234 1.102124
H -0.055130 0.532576 -1.355655
H 2.072524 2.142070 -1.220708
H 2.439943 2.900619 0.348107
H 0.525554 1.751647 1.417625
H -0.025183 2.594684 -0.036420
H -1.982003 -0.851699 -1.646561
H 3.389202 -2.039604 0.718364
H 3.343060 -2.396451 -1.026186
H 0.956458 -2.951716 -0.496717
H 0.411313 -1.891672 -1.819100
H 5.266833 -1.025559 -1.385447
H -1.526433 -3.190719 -0.956674
H -1.200229 -2.688410 0.701451
H -2.075007 1.698407 -1.269531
H -2.170685 2.266825 0.408758
H 3.417498 1.557262 2.220553
H 2.049654 0.421652 2.236777
H 3.704763 -0.204142 2.086153
H -3.857648 -2.160047 -1.121029
H -1.096169 0.806039 2.272651
H -2.692290 0.073627 2.066718
H -1.225071 -0.960522 2.096723
H 5.584195 1.248891 -2.107029
H 3.853336 0.970947 -2.475247
H 4.377314 2.485742 -1.670809
H 5.496340 0.914566 1.310960
H 6.568388 -0.916002 0.477163
H -3.586454 -1.780885 1.699461
H -5.083532 3.002577 -0.111738
H -6.413416 -0.886264 -0.198180


