%chk=000182798.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182798

0 1
O -11.401553 -0.438076 -1.241578
N -6.792265 0.215701 0.308614
N -3.918564 -0.155473 0.364170
N 1.731955 -0.478430 0.021342
N 4.462372 2.662525 -0.827683
C -6.159349 -1.029721 -0.236081
C -5.964305 0.734918 1.446857
C -4.747141 -0.698618 -0.758028
C -4.550807 1.075932 0.933192
C -8.203886 -0.036917 0.750302
C -2.507043 -0.154653 0.198868
C -9.108752 -0.112103 -0.488576
C -1.882503 -1.092128 -0.659671
C -1.686845 0.690831 0.985469
C -10.584677 -0.178912 -0.091126
C 0.301415 -0.337568 0.063842
C -0.496747 -1.180622 -0.728983
C -0.301603 0.595551 0.925121
C 2.611653 0.562458 -0.269513
C 4.050350 0.291118 -0.195125
C 4.937489 1.386053 -0.487746
C 4.598287 -0.951249 0.143263
C 5.986889 -1.145755 0.196066
C 6.865835 -0.053075 -0.100520
C 6.329284 1.194927 -0.436715
C 2.184010 1.831745 -0.619133
C 6.559826 -2.425749 0.544320
C 3.151431 2.848092 -0.884098
C 8.293949 -0.275389 -0.041599
C 7.910985 -2.594396 0.589192
C 8.793894 -1.498062 0.290115
H -6.781200 -1.398479 -1.081010
H -6.101080 -1.849750 0.513221
H -6.440040 1.662536 1.832521
H -5.892859 0.018776 2.294734
H -4.814098 0.026312 -1.600635
H -4.277384 -1.628016 -1.152510
H -3.936281 1.452263 1.782316
H -4.609437 1.889726 0.175219
H -8.528510 0.812933 1.391455
H -8.311850 -0.957276 1.363811
H -8.854612 -0.995804 -1.108092
H -8.917928 0.763538 -1.141758
H -2.488317 -1.761445 -1.270620
H -2.138636 1.416217 1.662208
H -10.809762 -1.045347 0.560024
H -10.932160 0.749438 0.395328
H -0.034178 -1.901271 -1.402888
H 0.319262 1.244696 1.545447
H 2.094690 -1.422896 0.126419
H -11.299090 0.272304 -1.904261
H 3.944439 -1.792855 0.376012
H 6.982357 2.040207 -0.664300
H 1.131372 2.074293 -0.718224
H 5.881236 -3.246987 0.769150
H 2.804113 3.854293 -1.156345
H 8.949787 0.563981 -0.270220
H 8.353990 -3.553772 0.850240
H 9.867392 -1.676367 0.337500


%chk=000182798-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000182798

0 1
O -11.630316 -0.533231 -0.954147
N -6.827795 0.163002 0.374121
N -3.938535 -0.072272 0.192103
N 1.755151 -0.291107 -0.356699
N 4.744481 2.768685 -0.805736
C -6.202435 -0.916960 -0.427996
C -5.953714 0.480273 1.529721
C -4.819000 -0.473389 -0.930439
C -4.559041 0.939498 1.068713
C -8.211657 -0.152774 0.809328
C -2.531921 -0.081134 0.023509
C -9.213925 -0.248288 -0.360125
C -1.883799 -1.123550 -0.707882
C -1.692060 0.913410 0.611900
C -10.667770 -0.337108 0.141069
C 0.338597 -0.168356 -0.250655
C -0.486677 -1.156631 -0.850263
C -0.290320 0.861335 0.493016
C 2.705384 0.725724 -0.459304
C 4.116359 0.393089 -0.259606
C 5.097038 1.457025 -0.471519
C 4.570616 -0.885797 0.135710
C 5.951675 -1.175858 0.291899
C 6.929782 -0.123645 0.044900
C 6.472695 1.165493 -0.322214
C 2.384880 2.057775 -0.775867
C 6.418466 -2.477034 0.694818
C 3.429203 3.019102 -0.932813
C 8.329952 -0.427348 0.200919
C 7.779399 -2.734612 0.837222
C 8.745470 -1.698755 0.585698
H -6.837326 -1.138203 -1.303255
H -6.094702 -1.857283 0.172164
H -6.420179 1.294118 2.115596
H -5.833339 -0.406139 2.204435
H -4.955098 0.380569 -1.632835
H -4.359603 -1.301458 -1.491891
H -3.931716 1.075425 1.966616
H -4.649309 1.923560 0.552335
H -8.532603 0.662518 1.488667
H -8.249284 -1.102664 1.405697
H -9.016167 -1.138314 -0.985950
H -9.087509 0.646127 -1.003360
H -2.471608 -1.929749 -1.157118
H -2.128086 1.747095 1.168885
H -10.807252 -1.224359 0.782667
H -10.925117 0.566402 0.736757
H -0.026688 -1.965279 -1.432077
H 0.316517 1.622016 0.993512
H 2.105807 -1.246422 -0.437597
H -11.566225 0.234513 -1.577055
H 3.860299 -1.689028 0.372132
H 7.179319 1.984233 -0.494505
H 1.351570 2.360555 -0.957917
H 5.682370 -3.267497 0.886508
H 3.160865 4.049865 -1.197760
H 9.063429 0.365232 0.012065
H 8.123877 -3.729011 1.141739
H 9.812374 -1.919180 0.701462


