%chk=000181079.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181079

0 1
O -5.591814 0.128867 -0.182902
O 4.412607 -3.908945 0.467778
N 3.754721 5.675561 -1.168051
C -1.999800 0.663679 0.092653
C -3.203121 -0.296096 -0.188100
C -0.773079 -0.141667 0.532367
C -0.356978 -1.044955 -0.664380
C -2.826588 -1.179837 -1.389101
C -4.327421 0.753527 -0.454379
C -2.587935 1.736168 1.026221
C 0.411717 0.731305 1.001405
C -1.531471 -1.957225 -1.092753
C -4.043482 1.915576 0.533942
C -3.605769 -1.167193 1.007526
C 0.897882 -1.829219 -0.344143
C 1.509703 -0.207741 1.540660
C 0.956836 1.662728 -0.098391
C 1.781924 -1.407573 0.675733
C 1.808739 2.801133 0.478874
C 1.227372 -2.958166 -1.107812
C 2.956464 -2.128096 0.928046
C 2.392563 -3.691163 -0.874445
C 2.342192 3.713907 -0.631613
C 3.240912 -3.258239 0.151830
C 3.196840 4.853073 -0.052857
H -1.733330 1.180466 -0.866984
H -1.057553 -0.800572 1.390693
H -0.109149 -0.381724 -1.534823
H -2.702423 -0.567592 -2.300375
H -3.647376 -1.888099 -1.610904
H -4.341333 1.097942 -1.507073
H -2.020248 2.677697 0.976149
H -2.564429 1.410052 2.079451
H 0.053208 1.365597 1.850005
H -1.722223 -2.705862 -0.298137
H -1.244771 -2.535294 -1.992212
H -4.750911 1.871043 1.379798
H -4.184751 2.894096 0.052677
H -4.556020 -1.679450 0.796035
H -2.853468 -1.927650 1.237131
H -3.770106 -0.568333 1.909016
H 1.223502 -0.566144 2.553170
H 2.447209 0.369677 1.688591
H 0.114077 2.087459 -0.678090
H 1.555319 1.075904 -0.823324
H -6.318477 0.763622 -0.315779
H 2.655044 2.379217 1.056863
H 1.211931 3.390986 1.200614
H 0.560524 -3.280079 -1.910912
H 3.652898 -1.830741 1.708197
H 2.627218 -4.563195 -1.472482
H 1.503529 4.126739 -1.223252
H 2.952872 3.128718 -1.350344
H 4.058787 4.428782 0.510537
H 2.601285 5.446887 0.673416
H 4.567778 -4.692796 -0.111495
H 4.277353 6.462841 -0.796855
H 3.009124 6.058297 -1.740707


%chk=000181079-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000181079

0 1
O -5.711672 0.170131 -0.485023
O 4.639607 -3.752107 0.349982
N 3.814945 5.681415 -1.188442
C -2.077627 0.634071 0.126046
C -3.290434 -0.311965 -0.152865
C -0.822036 -0.146737 0.554247
C -0.413408 -1.087397 -0.623268
C -2.910013 -1.261564 -1.313922
C -4.363493 0.756561 -0.490374
C -2.658368 1.739649 1.048579
C 0.375014 0.726461 1.025062
C -1.592288 -2.029620 -1.015451
C -4.150372 1.877073 0.581301
C -3.746998 -1.125729 1.087376
C 0.902470 -1.826544 -0.339185
C 1.435426 -0.232084 1.621496
C 0.962506 1.649135 -0.078265
C 1.788572 -1.393519 0.694622
C 1.879614 2.766182 0.471036
C 1.305129 -2.922523 -1.143804
C 3.021069 -2.058231 0.891427
C 2.531283 -3.590545 -0.947903
C 2.421760 3.697579 -0.636293
C 3.392731 -3.150287 0.083191
C 3.332828 4.816089 -0.091722
H -1.840729 1.118857 -0.849277
H -1.092787 -0.784318 1.424210
H -0.235911 -0.428396 -1.504881
H -2.776779 -0.662246 -2.240113
H -3.727714 -1.981074 -1.511220
H -4.146470 1.165595 -1.503845
H -2.100912 2.688847 0.954197
H -2.602425 1.435841 2.111070
H 0.011026 1.380624 1.845973
H -1.750823 -2.765392 -0.202800
H -1.324589 -2.617141 -1.914040
H -4.848094 1.698764 1.420683
H -4.366959 2.882004 0.174280
H -4.717603 -1.602110 0.869038
H -3.023029 -1.915635 1.349196
H -3.884775 -0.489106 1.979542
H 1.040041 -0.646330 2.572860
H 2.358452 0.315544 1.890654
H 0.133529 2.127033 -0.639659
H 1.530759 1.043628 -0.812442
H -6.367735 0.870457 -0.727041
H 2.736848 2.318171 1.013944
H 1.316760 3.366064 1.217790
H 0.652028 -3.269112 -1.951811
H 3.710610 -1.730109 1.677022
H 2.811197 -4.435646 -1.590687
H 1.567027 4.155336 -1.180245
H 2.994352 3.114564 -1.383001
H 4.216052 4.354722 0.391735
H 2.780052 5.366892 0.711020
H 4.805585 -4.498697 -0.277390
H 4.553113 6.339038 -0.919188
H 3.061760 6.145738 -1.706718


