%chk=000289467.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289467

0 1
O -4.116124 -1.411209 -0.402838
O -1.506031 -2.544543 0.291591
O -4.334019 1.280381 -0.480152
N 0.383420 1.825636 0.594985
N 4.397565 0.310138 0.093076
N 2.069595 0.506672 -0.437519
N 2.631519 2.432889 0.985077
N 3.378053 -0.907551 -1.774650
C -0.714560 0.964217 0.282708
C -3.018553 -0.614632 -0.108803
C -1.774648 -1.210226 0.180134
C -3.077291 0.801349 -0.208020
C -0.620755 -0.422999 0.378411
C -1.947518 1.596295 -0.012718
C 5.756993 -0.246575 -0.079421
C 6.696580 0.613090 0.779896
C 5.823264 -1.722900 0.350355
C 1.762519 1.506742 0.362782
C 3.373946 -0.030344 -0.646460
C -5.224481 -1.248622 0.525708
C -2.583439 -3.494558 0.073836
C -4.496350 2.712108 -0.644986
H 0.325310 -0.925773 0.580692
H -2.004717 2.672758 -0.100415
H 6.077183 -0.166405 -1.154157
H 0.168566 2.829484 0.585332
H 7.734411 0.282578 0.683864
H 6.645418 1.666677 0.480642
H 6.420986 0.566920 1.839972
H 6.856829 -2.084269 0.356640
H 5.250949 -2.373436 -0.316175
H 5.424907 -1.856652 1.363905
H -4.903411 -1.460602 1.546747
H -5.939405 -1.991543 0.159481
H -5.629211 -0.233368 0.437177
H -3.052689 -3.320660 -0.902364
H -3.318809 -3.406848 0.877631
H -2.047578 -4.449251 0.108162
H -5.566033 2.786615 -0.880259
H -3.887327 3.068903 -1.480987
H -4.258315 3.230857 0.287412
H 2.335658 2.864742 1.849852
H 3.626958 2.172107 0.992133
H 2.465233 -1.099881 -2.181538
H 3.922500 -1.754413 -1.662041


%chk=000289467-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000289467

0 1
O -4.534010 -1.261302 -0.280294
O -2.042873 -2.682457 -0.426522
O -4.497746 1.485886 0.147255
N 0.407060 1.508796 0.183970
N 4.434384 0.236132 0.094893
N 2.058667 -0.198256 0.030066
N 2.690903 2.089685 0.276825
N 3.505294 -1.987320 -0.127792
C -0.796916 0.763883 0.065389
C -3.308862 -0.572025 -0.146432
C -2.084971 -1.282472 -0.267771
C -3.250612 0.838864 0.057008
C -0.837670 -0.628435 -0.163587
C -2.010834 1.501895 0.170289
C 5.826739 -0.266447 0.071636
C 6.751974 0.875666 -0.396389
C 6.253973 -0.787266 1.470912
C 1.745818 1.097523 0.159457
C 3.399426 -0.605131 0.006447
C -5.375545 -1.288891 0.935831
C -2.765035 -3.235383 -1.593146
C -4.494791 2.939698 0.308679
H 0.092217 -1.189191 -0.246039
H -1.975134 2.584230 0.336171
H 5.935946 -1.102821 -0.662291
H 0.273005 2.513357 0.308482
H 7.804966 0.541014 -0.440220
H 6.451427 1.231829 -1.397389
H 6.684121 1.727274 0.305697
H 7.290086 -1.174539 1.449318
H 5.586011 -1.592464 1.827891
H 6.205283 0.038103 2.204042
H -4.824015 -1.752168 1.776103
H -6.247733 -1.906932 0.671347
H -5.697974 -0.268034 1.204287
H -2.314370 -2.857481 -2.531814
H -3.835022 -2.972950 -1.553085
H -2.626388 -4.325613 -1.525347
H -5.556114 3.228470 0.328682
H -3.990176 3.436796 -0.542753
H -4.008774 3.242096 1.257456
H 2.454983 3.077263 0.362695
H 3.686952 1.670740 0.242025
H 2.641652 -2.517080 -0.211454
H 4.401776 -2.460642 -0.165830


