%chk=000238486.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238486

0 1
O -0.032213 1.337469 1.550655
N -2.747962 1.757069 0.887073
N 1.192134 -0.604219 -2.135563
C 0.104471 0.943817 0.176456
C -1.198733 0.240499 -0.337121
C 1.283078 -0.092784 0.297941
C 0.508857 2.156160 -0.683781
C -1.457429 -1.092668 0.338715
C 2.590408 0.591019 0.656661
C -2.486559 1.036851 -0.238604
C 1.473843 -1.031811 -0.874619
C -0.522288 3.269738 -0.797613
C -1.583127 -2.251434 -0.442091
C 3.615693 0.791839 -0.277583
C -1.589617 -1.178805 1.733248
C 2.769460 1.031050 1.980188
C -3.416592 0.972920 -1.302956
C 1.969771 -2.334388 -0.630162
C -1.838434 -3.482805 0.168921
C 4.812562 1.401620 0.113249
C -1.843598 -2.410728 2.338396
C 3.963815 1.641121 2.364530
C -4.625422 1.656714 -1.191132
C 2.172291 -3.197097 -1.704668
C -1.969758 -3.565457 1.558063
C 4.992533 1.822602 1.432966
C -3.931608 2.420689 0.980887
C 1.395955 -1.459520 -3.174481
C -4.897920 2.394893 -0.032809
C 1.883687 -2.761006 -3.004208
H -1.008223 0.063967 -1.436206
H 0.993618 -0.732338 1.187983
H 0.793820 1.799446 -1.696759
H 1.439658 2.584398 -0.248969
H -0.801968 1.947516 1.677555
H -1.374283 2.984939 -1.424259
H -0.907407 3.569599 0.184898
H -0.074358 4.161825 -1.253079
H -1.478440 -2.197958 -1.523889
H 3.488271 0.485694 -1.314882
H -1.482863 -0.271317 2.336711
H 1.951780 0.918228 2.696900
H -3.191059 0.390322 -2.193073
H 2.189736 -2.653516 0.387042
H -1.935725 -4.378734 -0.440945
H 5.604909 1.549675 -0.617990
H -1.945309 -2.471357 3.420545
H 4.093437 1.979433 3.390847
H -5.355996 1.616818 -1.999405
H 2.553021 -4.204674 -1.536461
H -2.170423 -4.523729 2.031459
H 5.924736 2.293847 1.734720
H -4.089259 2.982820 1.908732
H 1.155345 -1.063867 -4.167759
H -5.834693 2.933130 0.078705
H 2.035579 -3.414413 -3.858278


%chk=000238486-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000238486

0 1
O -0.112684 1.520159 1.470023
N -2.667274 1.811349 0.917705
N 1.172862 -0.687338 -2.150440
C 0.088329 0.990009 0.108949
C -1.227094 0.238100 -0.377893
C 1.270569 -0.047128 0.282998
C 0.494873 2.141445 -0.858132
C -1.485444 -1.126757 0.288239
C 2.593572 0.626450 0.693321
C -2.509085 1.063419 -0.222765
C 1.500713 -1.031500 -0.865027
C -0.494855 3.314070 -1.022176
C -1.626644 -2.284105 -0.519561
C 3.625375 0.891439 -0.243840
C -1.639344 -1.258587 1.694756
C 2.800792 0.989987 2.049241
C -3.537586 1.003713 -1.197258
C 2.095796 -2.288610 -0.569850
C -1.913304 -3.542875 0.054752
C 4.834538 1.499314 0.162652
C -1.919595 -2.517411 2.270701
C 4.007345 1.599716 2.457544
C -4.736118 1.717012 -0.991977
C 2.356600 -3.203422 -1.607444
C -2.061412 -3.664865 1.454997
C 5.032429 1.854717 1.516533
C -3.822789 2.505861 1.110188
C 1.428156 -1.583792 -3.150692
C -4.887824 2.486561 0.185973
C 2.016537 -2.847195 -2.935020
H -1.081998 0.054680 -1.457506
H 0.950964 -0.654030 1.151639
H 0.730259 1.692788 -1.840816
H 1.437349 2.554674 -0.455610
H -1.090031 1.821137 1.516019
H -1.422187 3.027923 -1.550176
H -0.773362 3.743401 -0.042911
H -0.016786 4.116151 -1.615307
H -1.501136 -2.199540 -1.606357
H 3.482403 0.624819 -1.297026
H -1.526217 -0.374532 2.329756
H 1.995622 0.815535 2.769411
H -3.389979 0.399501 -2.098013
H 2.345633 -2.532008 0.468105
H -2.017067 -4.424486 -0.588288
H 5.620518 1.694845 -0.576305
H -2.030806 -2.602805 3.358009
H 4.147444 1.876740 3.508981
H -5.538262 1.677950 -1.736788
H 2.812049 -4.175441 -1.389343
H -2.285297 -4.638995 1.904725
H 5.971339 2.322979 1.834067
H -3.884853 3.091344 2.033829
H 1.148432 -1.260040 -4.160672
H -5.801130 3.055497 0.383623
H 2.200867 -3.524719 -3.774842


