%chk=000205495.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000205495

0 1
O -1.826650 -1.376354 -2.613949
O -0.004794 -2.390421 -0.909689
N 0.590141 -0.317350 -0.163025
N 4.793456 -0.597008 0.856874
C 1.860510 -0.815402 0.446178
C 2.877137 -1.214645 -0.634281
C 0.330465 1.105365 -0.089996
C 4.206269 -1.669468 -0.015000
C -0.262161 -1.195682 -0.813371
C 0.717840 1.950552 -1.155603
C -0.297406 1.632221 1.062191
C -1.578936 -0.649134 -1.414683
C 0.468281 3.326541 -1.052474
C -0.530081 3.013944 1.133385
C -2.709896 -0.815912 -0.423993
C 1.366312 1.401413 -2.381656
C -0.721267 0.744428 2.183200
C -0.148236 3.851585 0.084774
C 5.898792 -1.161761 1.689472
C 5.298729 0.549374 0.044495
C -3.532811 0.277372 -0.121907
C -2.948251 -2.059070 0.179967
C -4.589494 0.125537 0.781070
C -4.006582 -2.206156 1.079515
C -4.828184 -1.114658 1.381247
H 2.285386 -0.024494 1.105852
H 1.621693 -1.695596 1.085709
H 2.457702 -2.042543 -1.246814
H 3.036288 -0.365211 -1.335502
H 4.021807 -2.564739 0.621099
H 4.894398 -1.996458 -0.824338
H -1.487249 0.400569 -1.784352
H 0.758854 3.990498 -1.864477
H -1.010903 3.434969 2.014467
H 1.737305 2.182917 -3.055844
H 2.226913 0.751700 -2.125470
H 0.666543 0.778731 -2.961870
H -1.149519 1.297622 3.028297
H -1.485639 0.021703 1.849270
H 0.121070 0.154474 2.574308
H -0.333022 4.923643 0.153442
H 6.286548 -0.371637 2.352469
H 5.491341 -1.952962 2.338938
H 6.742856 -1.578247 1.121225
H 4.454705 0.998750 -0.503737
H 5.689450 1.324941 0.722406
H 6.086216 0.294008 -0.678862
H -3.355180 1.244946 -0.590153
H -2.299771 -2.908604 -0.049882
H -1.739074 -2.352656 -2.447953
H -5.229639 0.975064 1.012967
H -4.191832 -3.173050 1.544930
H -5.653830 -1.231649 2.080833


%chk=000205495-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000205495

0 1
O -2.099007 -1.644235 -2.675362
O 0.035966 -2.472757 -1.324817
N 0.564032 -0.373958 -0.461547
N 4.642451 -0.732495 1.136732
C 1.812953 -0.917184 0.147188
C 3.027628 -0.901799 -0.804745
C 0.297401 1.050429 -0.344600
C 4.286089 -1.461847 -0.106894
C -0.272159 -1.246916 -1.123816
C 0.472283 1.894851 -1.483071
C -0.097295 1.576007 0.921561
C -1.678395 -0.770499 -1.581372
C 0.242880 3.284779 -1.327086
C -0.312881 2.971811 1.030806
C -2.659081 -0.814812 -0.404138
C 0.868872 1.345408 -2.842849
C -0.300980 0.679872 2.128813
C -0.143529 3.823252 -0.081380
C 5.617828 -1.483018 1.954743
C 5.091916 0.653190 0.888597
C -3.364558 0.347003 -0.011383
C -2.895250 -2.034717 0.280204
C -4.295949 0.295374 1.051029
C -3.822897 -2.086997 1.342606
C -4.526916 -0.921719 1.731850
H 2.053388 -0.329497 1.047675
H 1.605651 -1.957978 0.453565
H 2.811296 -1.529013 -1.689887
H 3.214260 0.127708 -1.164921
H 4.097548 -2.517494 0.170243
H 5.136398 -1.465515 -0.838296
H -1.646502 0.252906 -1.987784
H 0.374225 3.945111 -2.192277
H -0.624874 3.386403 1.996463
H 1.268022 2.149152 -3.484655
H 1.629727 0.551541 -2.764565
H 0.004484 0.901797 -3.374064
H -0.968331 1.162497 2.862454
H -0.747708 -0.288123 1.844478
H 0.656077 0.463632 2.642113
H -0.314138 4.900734 0.020821
H 5.792649 -0.950604 2.907037
H 5.214473 -2.483781 2.191016
H 6.608856 -1.619385 1.450836
H 4.296086 1.236808 0.394877
H 5.318223 1.143948 1.851915
H 6.009281 0.708168 0.247678
H -3.187334 1.292415 -0.539042
H -2.354128 -2.938451 -0.023198
H -1.577452 -2.491271 -2.554604
H -4.842433 1.199617 1.342251
H -4.001586 -3.033824 1.865037
H -5.250961 -0.964521 2.553465


