%chk=000203381.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203381

0 1
O -6.392178 -1.102119 -1.653086
N 0.684819 -0.733405 -0.381198
C -1.695128 -0.171748 -0.401199
C -1.243747 -0.653239 -1.820925
C -0.539050 -0.770384 0.466666
C 0.297993 -0.516861 -1.800542
C -1.672423 1.397785 -0.363240
C -3.087966 -0.681774 -0.015672
C 1.846029 0.034311 0.087927
C -2.038062 2.058977 0.984572
C 3.184860 -0.523414 -0.479138
C -4.126617 -0.697191 -0.978060
C -3.387770 -1.099638 1.310161
C -1.962950 3.599991 0.910584
C -5.426326 -1.121053 -0.627240
C -4.688860 -1.526064 1.653505
C 4.379255 0.290398 -0.012492
C -5.722375 -1.541102 0.691135
C 4.700040 1.515917 -0.633183
C 5.165294 -0.131096 1.077917
C 5.770134 2.293506 -0.180593
C 6.237596 0.643625 1.533857
C 6.544168 1.860925 0.906792
H -1.694114 -0.060163 -2.636487
H -1.537037 -1.709588 -1.964573
H -0.377794 -0.209443 1.406704
H -0.789644 -1.816451 0.740607
H 0.777810 -1.250950 -2.476560
H 0.610475 0.499309 -2.143893
H -2.376611 1.768009 -1.136960
H -0.661885 1.741138 -0.665376
H 1.778269 1.118962 -0.192305
H 1.887513 -0.013718 1.191711
H -1.355043 1.701368 1.781346
H -3.057437 1.750874 1.284877
H 3.126759 -0.517731 -1.584727
H 3.272672 -1.578815 -0.163026
H -3.949151 -0.387123 -2.012626
H -2.607094 -1.090330 2.077347
H -0.942410 3.938988 0.649375
H -2.654184 3.993861 0.141477
H -2.235420 4.062672 1.876921
H -4.904267 -1.847439 2.678664
H -6.733299 -1.873021 0.961602
H 4.106838 1.856028 -1.491592
H 4.933603 -1.083920 1.570396
H -7.266620 -1.419751 -1.316746
H 6.007074 3.240527 -0.679031
H 6.840906 0.295642 2.380210
H 7.385355 2.467216 1.261018


%chk=000203381-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000203381

0 1
O -6.263201 -1.607955 -1.570223
N 0.685440 -0.511891 -0.397384
C -1.721820 -0.028083 -0.393016
C -1.235436 -0.507209 -1.802497
C -0.505643 -0.446690 0.501542
C 0.278347 -0.218451 -1.792425
C -1.879062 1.536277 -0.421187
C -3.048668 -0.670453 0.030412
C 1.914341 0.141776 0.074265
C -2.342610 2.212598 0.888694
C 3.180476 -0.386993 -0.657289
C -4.068989 -0.883156 -0.927693
C -3.311589 -1.013521 1.385489
C -2.410383 3.749402 0.748603
C -5.312846 -1.430113 -0.545068
C -4.556591 -1.561839 1.761058
C 4.451799 0.226761 -0.093373
C -5.570972 -1.776702 0.802089
C 4.967783 1.444674 -0.607932
C 5.124509 -0.380980 0.998852
C 6.122131 2.039211 -0.049034
C 6.278864 0.208329 1.561568
C 6.781837 1.423007 1.039501
H -1.749079 0.011649 -2.631258
H -1.413510 -1.592940 -1.909818
H -0.345997 0.280529 1.324725
H -0.687441 -1.438351 0.962547
H 0.822390 -0.854062 -2.516583
H 0.482536 0.846957 -2.070071
H -2.604294 1.791104 -1.221565
H -0.907061 1.977804 -0.722059
H 1.876211 1.257616 -0.046223
H 2.029088 -0.061478 1.155460
H -1.651487 1.953127 1.716160
H -3.336403 1.822266 1.177889
H 3.094246 -0.161497 -1.737238
H 3.190071 -1.487717 -0.551517
H -3.919714 -0.637721 -1.983659
H -2.546593 -0.848812 2.150877
H -1.418707 4.173313 0.500328
H -3.110925 4.042879 -0.056092
H -2.755771 4.223889 1.685440
H -4.742953 -1.823142 2.808741
H -6.538172 -2.204053 1.097340
H 4.465402 1.924834 -1.457357
H 4.742841 -1.326588 1.404700
H -7.095426 -2.004140 -1.210945
H 6.508492 2.977854 -0.462999
H 6.787833 -0.279471 2.400978
H 7.678710 1.880652 1.472147


