%chk=000201938.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201938

0 1
O -0.768173 3.057752 -0.868889
O 3.334101 -0.025797 -1.517511
O -0.132138 3.606609 1.229473
O 3.944825 -1.492066 0.948435
N -2.366559 -0.597097 0.171791
C -1.318382 0.455207 -0.098955
C -2.093672 -1.849785 -0.615074
C -3.739163 -0.080315 -0.164728
C -3.120973 -2.930831 -0.239664
C -4.796233 -1.124495 0.228751
C -4.553815 -2.451565 -0.500120
C -1.550378 1.652179 0.857988
C 0.077932 -0.090097 0.157199
C 1.094010 0.191181 -0.765625
C 0.366783 -0.822159 1.319718
C -0.729344 2.854391 0.498502
C 2.390320 -0.278550 -0.528440
C 1.653791 -1.308925 1.551640
C 2.669123 -1.046970 0.623259
C -0.005338 4.179937 -1.385329
C 4.464870 0.768882 -1.062103
C 4.500800 -2.438168 -0.006407
H -1.384840 0.833862 -1.157695
H -1.074535 -2.214773 -0.360959
H -2.108586 -1.673277 -1.711975
H -3.844506 0.180967 -1.240024
H -3.911760 0.855707 0.414710
H -2.910714 -3.854043 -0.809380
H -3.004401 -3.189585 0.832172
H -4.759640 -1.289899 1.324533
H -5.805402 -0.735423 0.003072
H -4.724498 -2.328418 -1.586160
H -5.279377 -3.212899 -0.159251
H -1.324700 1.352197 1.907172
H -2.628861 1.937645 0.866951
H 0.900047 0.778559 -1.663380
H -0.431973 -1.025920 2.036869
H 1.886693 -1.886808 2.445288
H -0.425059 4.321239 -2.386198
H -0.146693 5.063516 -0.752942
H 1.050149 3.893642 -1.419879
H 5.126690 0.751594 -1.933856
H 4.123263 1.783263 -0.839072
H 4.935373 0.308373 -0.185453
H 5.525054 -2.562114 0.360441
H 3.941483 -3.375694 0.050857
H 4.480804 -2.024030 -1.020952


%chk=000201938-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000201938

0 1
O -0.541673 3.116228 -0.987534
O 3.381355 0.086863 -1.495329
O 0.115074 3.298147 1.239166
O 3.945743 -1.403932 0.966825
N -2.440968 -0.642413 0.111992
C -1.427572 0.405380 -0.229420
C -2.250404 -1.850247 -0.744562
C -3.853645 -0.177001 0.039713
C -3.173442 -3.005654 -0.312758
C -4.832644 -1.284266 0.485446
C -4.653230 -2.567658 -0.353262
C -1.676316 1.710780 0.595245
C -0.010085 -0.107941 0.054724
C 1.045502 0.171332 -0.842916
C 0.278856 -0.797934 1.259249
C -0.607469 2.764270 0.370186
C 2.367795 -0.228562 -0.555362
C 1.591214 -1.230096 1.537494
C 2.641862 -0.965842 0.631260
C 0.474701 4.138536 -1.331412
C 4.437649 0.983427 -0.969737
C 4.535642 -2.373722 0.014814
H -1.492119 0.685723 -1.310434
H -1.195457 -2.164356 -0.673658
H -2.451052 -1.601078 -1.820466
H -4.115721 0.150484 -1.002073
H -3.986408 0.692984 0.704698
H -3.001981 -3.874504 -0.976950
H -2.903921 -3.312735 0.716507
H -4.643661 -1.512585 1.552504
H -5.868678 -0.902149 0.404155
H -4.949845 -2.367757 -1.403925
H -5.312661 -3.372885 0.022043
H -1.700236 1.472346 1.671303
H -2.642880 2.159917 0.304197
H 0.861652 0.718771 -1.774063
H -0.541168 -1.018665 1.950575
H 1.828693 -1.783345 2.452043
H 0.343274 4.316770 -2.407948
H 0.304149 5.059953 -0.749656
H 1.486569 3.756366 -1.112243
H 5.154579 1.108333 -1.795669
H 4.001835 1.963362 -0.694943
H 4.932810 0.538738 -0.087710
H 5.550960 -2.572301 0.390802
H 3.945647 -3.310023 0.012506
H 4.574072 -1.954063 -1.006619


