%chk=000281059.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281059

0 1
O 1.967355 -4.371303 -1.742626
O -0.010215 0.571418 -0.658410
O -0.615689 -0.205999 -2.703404
O -6.956682 -0.846201 0.312682
O -5.948877 -1.220660 2.190640
N 1.752568 -1.685066 -0.759597
N -5.956933 -0.940211 1.003915
C 2.272425 -0.311922 -0.412849
C 1.376702 0.754825 -1.111214
C 1.938908 -1.970688 -2.224654
C 2.445330 -2.754720 0.036839
C 2.307599 -0.109107 1.090958
C 1.335792 -3.348126 -2.538617
C 1.833905 -4.116268 -0.330550
C 1.759635 2.166437 -0.744464
C 3.516337 0.247739 1.707445
C 1.153479 -0.264725 1.872288
C 1.168236 2.816718 0.346285
C 2.725977 2.829885 -1.516147
C 3.565330 0.444458 3.090691
C 1.206061 -0.069741 3.253757
C -0.894278 0.010915 -1.545921
C 2.412930 0.284641 3.866054
C 1.540482 4.126275 0.663677
C 3.098019 4.136535 -1.190957
C 2.505787 4.786402 -0.102328
C -2.202116 -0.225924 -0.866020
C -3.378253 -0.138034 -1.625323
C -2.244675 -0.551997 0.495831
C -4.611617 -0.370648 -1.014462
C -3.473031 -0.788865 1.113758
C -4.644894 -0.692710 0.349964
H 3.311458 -0.153620 -0.821885
H 1.395007 0.606659 -2.222681
H 1.392516 -1.195389 -2.814609
H 3.003762 -1.946030 -2.538126
H 3.542774 -2.774427 -0.134834
H 2.285682 -2.562115 1.120347
H 1.558641 -3.674528 -3.569503
H 0.246630 -3.368779 -2.356691
H 0.766202 -4.173463 -0.054553
H 2.392407 -4.956422 0.118126
H 4.419294 0.380643 1.114166
H 0.210366 -0.536798 1.381279
H 0.418376 2.293224 0.942623
H 3.185963 2.335058 -2.369357
H 4.505088 0.724774 3.564186
H 0.307640 -0.192399 3.855920
H 2.454143 0.437401 4.942828
H 1.078378 4.630229 1.511286
H 3.848633 4.651255 -1.788679
H 2.796406 5.805596 0.146852
H -3.324340 0.104676 -2.691249
H -1.302347 -0.617500 1.065610
H -5.544942 -0.306771 -1.585881
H -3.531132 -1.045809 2.177385


%chk=000281059-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000281059

0 1
O 2.478409 -4.363156 -2.033283
O -0.063819 0.536968 -0.515754
O -0.815463 -0.179191 -2.613027
O -7.181201 -0.997468 0.310112
O -6.316774 -0.406275 2.336488
N 1.923822 -1.750396 -0.808142
N -6.205837 -0.628532 1.070016
C 2.250997 -0.366148 -0.347864
C 1.326988 0.710390 -1.023249
C 1.984536 -1.929127 -2.290359
C 2.830883 -2.756539 -0.173681
C 2.199794 -0.257277 1.178409
C 1.602082 -3.369652 -2.669671
C 2.421538 -4.180184 -0.575256
C 1.779263 2.136661 -0.752234
C 3.210057 0.445287 1.877110
C 1.131269 -0.832831 1.913260
C 1.311980 2.878422 0.359401
C 2.716924 2.729127 -1.634773
C 3.155032 0.580971 3.283608
C 1.074649 -0.701671 3.317500
C -1.027334 0.062832 -1.398458
C 2.085236 0.009451 4.008800
C 1.777562 4.192925 0.583727
C 3.192072 4.039297 -1.404376
C 2.721719 4.776170 -0.292819
C -2.353117 -0.106370 -0.724206
C -3.454858 -0.514245 -1.519979
C -2.521928 0.126862 0.665614
C -4.723562 -0.688041 -0.938490
C -3.786221 -0.042863 1.259776
C -4.866858 -0.447926 0.445934
H 3.284884 -0.078948 -0.678004
H 1.304102 0.540915 -2.113463
H 1.259630 -1.262908 -2.786734
H 3.010301 -1.703206 -2.677489
H 3.891978 -2.580974 -0.482084
H 2.776899 -2.660368 0.923443
H 1.714096 -3.525800 -3.755202
H 0.546467 -3.556023 -2.375575
H 1.392176 -4.388365 -0.210101
H 3.120056 -4.922349 -0.154677
H 4.041873 0.892422 1.319458
H 0.367882 -1.401210 1.372297
H 0.583832 2.427507 1.039806
H 3.069263 2.170478 -2.511259
H 3.945345 1.127927 3.809641
H 0.249131 -1.159171 3.875192
H 2.042495 0.108906 5.099307
H 1.406184 4.760359 1.444302
H 3.915454 4.487177 -2.094687
H 3.081761 5.795799 -0.115998
H -3.294382 -0.688320 -2.588279
H -1.661994 0.437995 1.264037
H -5.591580 -1.000141 -1.524401
H -3.951491 0.129625 2.326136


