%chk=000197962.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197962

0 1
O -0.068057 -0.255471 0.269003
N 3.949768 -0.012432 -0.082183
C 3.259559 0.193275 -1.401223
C 3.339274 1.074194 0.757522
C 3.429790 1.725042 -1.607142
C 3.483192 2.308686 -0.176702
C 1.762696 -0.190124 -1.330789
C 1.851686 0.790865 1.068752
C 1.030175 0.574315 -0.213279
C 3.903750 -1.401760 0.486394
C 4.655135 -1.415349 1.827137
C 4.574309 -2.366301 -0.504776
C -1.269483 -0.232320 -0.537038
C -2.120565 -1.378559 -0.026677
C -1.988082 1.093300 -0.367225
C -3.215316 -1.808846 -0.791296
C -2.646550 1.680655 -1.455468
C -1.827140 -2.006069 1.190645
C -2.001307 1.726390 0.883242
C -4.009085 -2.864467 -0.335832
C -3.315916 2.897185 -1.289888
C -2.623186 -3.063636 1.639674
C -2.668659 2.942852 1.043646
C -3.714220 -3.493923 0.878449
C -3.327290 3.529376 -0.042604
H 3.772270 -0.390971 -2.193876
H 3.915029 1.197247 1.698792
H 2.610424 2.155621 -2.199036
H 4.364996 1.935688 -2.151166
H 4.445423 2.814855 0.004364
H 2.692216 3.051527 -0.003105
H 1.278713 -0.005199 -2.303833
H 1.660652 -1.278426 -1.146606
H 1.759034 -0.108873 1.711231
H 1.413540 1.615306 1.657455
H 0.622096 1.534964 -0.591548
H 2.848061 -1.743288 0.662157
H 4.120256 -0.859032 2.602540
H 5.651230 -0.965413 1.724394
H 4.791345 -2.438788 2.190632
H 5.563506 -1.996938 -0.805106
H 4.713255 -3.355491 -0.057180
H 3.980802 -2.497295 -1.414419
H -0.979623 -0.406233 -1.599921
H -3.453650 -1.318550 -1.732725
H -2.643259 1.195006 -2.428875
H -0.970363 -1.665627 1.776222
H -1.483392 1.256674 1.721284
H -4.859901 -3.196807 -0.927610
H -3.829654 3.352169 -2.134730
H -2.392247 -3.551508 2.584817
H -2.679223 3.432698 2.015632
H -4.333847 -4.316166 1.229749
H -3.849268 4.475769 0.083623


%chk=000197962-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000197962

0 1
O -0.190625 -0.455641 0.580040
N 3.966555 0.092541 -0.107751
C 3.098214 0.324505 -1.305690
C 3.319127 0.977537 0.915775
C 3.070631 1.880254 -1.363423
C 3.221376 2.320149 0.134357
C 1.667914 -0.277744 -1.111888
C 1.914348 0.441092 1.334901
C 0.968895 0.349192 0.120911
C 4.282486 -1.312520 0.273029
C 5.212401 -1.326690 1.506991
C 4.964146 -2.037159 -0.909637
C -1.358256 -0.441951 -0.326143
C -2.363440 -1.462025 0.220696
C -1.942585 0.966993 -0.462800
C -3.648799 -1.561826 -0.370782
C -1.979658 1.616289 -1.719811
C -2.023699 -2.335572 1.281047
C -2.436193 1.648443 0.679090
C -4.577441 -2.521520 0.086835
C -2.507594 2.923496 -1.842353
C -2.956899 -3.292487 1.743619
C -2.958590 2.953522 0.562309
C -4.234587 -3.392275 1.148172
C -2.998019 3.595262 -0.700176
H 3.561451 -0.107339 -2.208896
H 3.961755 1.071843 1.806996
H 2.141146 2.257783 -1.827070
H 3.920575 2.247603 -1.962800
H 4.146081 2.904475 0.275316
H 2.374163 2.937095 0.484542
H 1.074646 -0.107922 -2.031645
H 1.739470 -1.373229 -0.962324
H 2.013857 -0.566962 1.782548
H 1.464497 1.094316 2.105673
H 0.605476 1.364433 -0.140679
H 3.361476 -1.890715 0.538294
H 4.715321 -0.927640 2.409101
H 6.113101 -0.717804 1.307717
H 5.527480 -2.361727 1.731768
H 5.849713 -1.465076 -1.241640
H 5.291011 -3.045775 -0.598241
H 4.285687 -2.160265 -1.772853
H -1.036527 -0.780043 -1.336804
H -3.926945 -0.878218 -1.182195
H -1.597453 1.096861 -2.608571
H -1.032780 -2.250237 1.733812
H -2.404122 1.146402 1.652673
H -5.567105 -2.587204 -0.379613
H -2.533492 3.414835 -2.821608
H -2.684113 -3.961278 2.568283
H -3.338640 3.471562 1.450239
H -4.955637 -4.135873 1.506448
H -3.406906 4.608031 -0.790290


