%chk=000217721.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217721

0 1
O -3.658725 1.073738 0.543658
O 2.091593 0.777610 3.386213
N 4.564318 0.041993 0.976168
N 1.763992 -0.123662 1.281246
C 6.480517 -0.222274 -0.564350
C 5.871283 -0.661338 0.776169
C 7.774662 -0.992313 -0.859120
C 4.004074 -0.211267 2.333617
C 0.374213 0.169338 1.091064
C -0.220751 -0.133799 -0.165947
C 8.393962 -0.559452 -2.185566
C 2.533608 0.222419 2.395919
C -0.400339 0.730155 2.123570
C -1.581477 0.126630 -0.354132
C -2.324826 0.677659 0.694662
C -1.757297 0.984313 1.935059
C 0.570561 -0.720557 -1.290121
C -4.558929 0.221961 -0.089937
C -4.414575 -1.167873 -0.157187
C -5.686473 0.890012 -0.597877
C -5.438413 -1.906242 -0.758636
C -6.692015 0.126351 -1.187690
C -6.570336 -1.267609 -1.273471
H 5.747801 -0.385651 -1.380457
H 6.683188 0.866078 -0.559555
H 5.667976 -1.755661 0.761425
H 6.592883 -0.480834 1.602274
H 7.569914 -2.081119 -0.881510
H 8.503692 -0.837224 -0.039332
H 4.691046 1.054952 0.850413
H 4.054975 -1.299275 2.572079
H 4.546956 0.309494 3.156264
H 8.649301 0.506559 -2.185801
H 7.712608 -0.732561 -3.026735
H 9.315609 -1.115889 -2.392195
H 2.257606 -0.532942 0.476808
H 0.062796 0.971904 3.090442
H -2.060130 -0.083357 -1.309385
H -2.366736 1.418452 2.725975
H -0.027478 -0.832205 -2.206163
H 0.947461 -1.722966 -1.039657
H 1.430017 -0.087867 -1.557992
H -3.540574 -1.662357 0.258811
H -5.756349 1.972172 -0.518410
H -5.350631 -2.990809 -0.820851
H -7.578454 0.618888 -1.587265
H -7.360307 -1.851876 -1.738694


%chk=000217721-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217721

0 1
O -3.417116 0.303303 0.884966
O 2.395155 0.353479 4.150075
N 4.753278 0.828076 1.355370
N 2.145048 0.740844 1.822722
C 5.467956 -0.504109 -0.637766
C 5.156626 -0.518736 0.870454
C 5.914438 -1.886569 -1.167094
C 4.370062 0.888484 2.784204
C 0.751397 0.604993 1.595582
C 0.267282 0.783842 0.259856
C 6.223263 -1.873565 -2.679586
C 2.859184 0.618889 2.999946
C -0.154074 0.308383 2.649327
C -1.117099 0.652263 0.016405
C -2.007470 0.343347 1.069756
C -1.531446 0.176196 2.384297
C 1.214083 1.124737 -0.878611
C -3.985345 -0.358450 -0.230065
C -3.366449 -1.448856 -0.886860
C -5.272998 0.082899 -0.611718
C -4.051061 -2.090304 -1.943565
C -5.944398 -0.570307 -1.667230
C -5.337051 -1.656622 -2.341599
H 4.570380 -0.161530 -1.191076
H 6.267768 0.239046 -0.844241
H 4.319470 -1.215539 1.072418
H 6.039432 -0.910022 1.430153
H 5.120913 -2.631862 -0.956802
H 6.811893 -2.220418 -0.608019
H 5.446516 1.541925 1.099148
H 4.922285 0.167780 3.423287
H 4.577217 1.898884 3.184076
H 7.036667 -1.160929 -2.913184
H 5.334065 -1.571202 -3.264034
H 6.537074 -2.871834 -3.034846
H 2.788124 0.951417 1.035017
H 0.238206 0.183359 3.660784
H -1.504003 0.802471 -0.997153
H -2.240464 -0.048874 3.186191
H 0.664187 1.222865 -1.828804
H 1.987441 0.343755 -1.024228
H 1.743707 2.081628 -0.702127
H -2.378301 -1.797147 -0.571108
H -5.724145 0.923130 -0.075327
H -3.577120 -2.938492 -2.450577
H -6.942448 -0.228672 -1.963391
H -5.860332 -2.160253 -3.161225


