%chk=000200446.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200446

0 1
O -4.032698 1.144890 -0.174670
N 1.302846 1.088714 0.097264
N 4.042456 0.176692 0.147443
N 5.628450 -1.341631 1.065684
C 2.334974 1.697458 -0.804651
C 1.951202 0.667863 1.382498
C 3.411737 0.640792 -1.125155
C 3.035698 -0.388894 1.098097
C 0.176581 2.049196 0.344788
C -1.063730 1.252526 0.779880
C -2.270296 2.169726 1.000450
C 5.309973 -0.433536 0.074377
C -3.558956 1.372324 1.191903
C 6.263759 -0.047092 -0.908665
C 7.545510 -0.580392 -0.842854
C -4.920506 0.073058 -0.294985
C 6.890008 -1.834203 1.100497
C 7.879986 -1.487289 0.170365
C -6.303081 0.314304 -0.167034
C -4.409998 -1.192946 -0.643583
C -7.184959 -0.754324 -0.381508
C -5.322168 -2.238678 -0.852282
C -6.817302 1.671517 0.177535
C -2.946403 -1.422763 -0.805400
C -6.694685 -2.019074 -0.717142
H 2.812943 2.602962 -0.371256
H 1.838077 2.002764 -1.751107
H 1.171509 0.216872 2.034677
H 2.394883 1.520277 1.942346
H 4.183698 1.089862 -1.788656
H 2.950811 -0.212586 -1.673881
H 2.577450 -1.316264 0.688760
H 3.543464 -0.667228 2.051408
H 0.423795 2.827125 1.097843
H -0.050814 2.587372 -0.602135
H -0.848101 0.669911 1.695091
H -1.312776 0.495431 -0.006155
H -2.104084 2.832734 1.869741
H -2.403908 2.838611 0.121157
H -3.406892 0.407968 1.702009
H -4.341944 1.950209 1.710833
H 5.998127 0.665863 -1.683108
H 8.292815 -0.291845 -1.582846
H 7.094591 -2.543965 1.911676
H 8.874911 -1.911794 0.234360
H -8.257060 -0.595655 -0.288697
H -4.954578 -3.225918 -1.124094
H -7.109575 1.730513 1.234375
H -6.055388 2.446975 -0.004351
H -7.696727 1.938847 -0.423587
H -2.705232 -1.744890 -1.828201
H -2.358416 -0.498975 -0.619195
H -2.576711 -2.194982 -0.119098
H -7.390667 -2.840834 -0.879460


%chk=000200446-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000200446

0 1
O -3.904054 0.748107 -0.205296
N 1.434779 1.019305 -0.054458
N 4.134195 0.004322 -0.228277
N 5.754898 -1.234656 0.946087
C 2.530328 1.853696 -0.603801
C 1.972285 0.104561 0.986155
C 3.637259 0.970789 -1.219378
C 3.066566 -0.802246 0.398499
C 0.290412 1.837917 0.419451
C -1.010429 1.028057 0.589662
C -2.185107 1.918490 1.051444
C 5.481219 -0.283618 -0.013330
C -3.509576 1.159245 1.165465
C 6.543993 0.362717 -0.730592
C 7.873897 0.028839 -0.422872
C -5.070013 -0.068605 -0.276318
C 7.051769 -1.538200 1.218022
C 8.155166 -0.938712 0.574580
C -6.356763 0.534707 -0.257555
C -4.889664 -1.469303 -0.445699
C -7.487197 -0.310120 -0.395641
C -6.045254 -2.276920 -0.579332
C -6.516456 2.038068 -0.120497
C -3.495783 -2.065239 -0.504570
C -7.337267 -1.705169 -0.548121
H 2.990273 2.507022 0.182886
H 2.115328 2.508981 -1.392562
H 1.155226 -0.532697 1.367338
H 2.394356 0.679654 1.850383
H 4.452306 1.622255 -1.570237
H 3.217584 0.433625 -2.096920
H 2.607650 -1.463862 -0.366851
H 3.532349 -1.425199 1.176857
H 0.533676 2.363747 1.381353
H 0.111296 2.627681 -0.336946
H -0.866689 0.214643 1.329082
H -1.264336 0.551103 -0.373432
H -1.956537 2.367240 2.040323
H -2.325632 2.756600 0.340458
H -3.403185 0.256331 1.803621
H -4.301006 1.803435 1.600313
H 6.343424 1.096275 -1.515277
H 8.690540 0.517612 -0.966351
H 7.201186 -2.302478 1.990882
H 9.179124 -1.220887 0.834007
H -8.488974 0.136568 -0.392271
H -5.927424 -3.358962 -0.712864
H -6.587969 2.346505 0.941315
H -5.653343 2.565346 -0.561975
H -7.437072 2.382866 -0.622474
H -3.539825 -3.151661 -0.692550
H -2.896606 -1.593138 -1.303624
H -2.940870 -1.903761 0.438944
H -8.221454 -2.343279 -0.655754


