%chk=000207354.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207354

0 1
O 0.478451 -3.657202 -1.599385
O -0.403687 3.270299 1.037911
N 2.357777 0.370953 1.664205
N -0.554731 2.334888 -1.050755
N -4.248705 1.259589 1.606948
C 1.972636 1.037546 -0.484958
C 1.649335 -0.361810 -0.392281
C 1.831932 1.894717 -1.688651
C 1.893548 -0.759583 0.966787
C 0.713645 2.944818 -1.519313
C 2.393745 1.453601 0.777190
C 1.165837 -1.310908 -1.318760
C 1.669488 -2.080685 1.414226
C 0.954866 -2.596976 -0.853032
C 1.196536 -2.995940 0.501770
C -0.907020 2.437881 0.302973
C -2.007535 1.516552 0.727105
C -1.828115 0.127984 0.725359
C 0.248478 -3.437037 -3.010728
C -3.228816 2.048362 1.185852
C -2.872395 -0.689672 1.164404
C -4.066694 -0.088033 1.593959
H 2.789153 2.417340 -1.900794
H 1.637001 1.268608 -2.583134
H 1.028512 3.730195 -0.789181
H 0.516408 3.458692 -2.485387
H 2.691259 2.440089 1.095094
H 2.580165 0.402492 2.639374
H 0.992414 -1.020272 -2.346381
H 1.867476 -2.357662 2.446750
H 1.002407 -4.032238 0.772898
H -0.872685 1.532247 -1.589239
H -0.881230 -0.311583 0.395319
H -0.538306 -2.691828 -3.155512
H 1.179362 -3.150146 -3.508462
H -0.083831 -4.429654 -3.341934
H -3.398750 3.132920 1.221476
H -2.761445 -1.771861 1.176573
H -4.914687 -0.688680 1.944815


%chk=000207354-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000207354

0 1
O -0.127807 -3.186539 -1.037764
O -1.915523 3.360083 -1.014094
N 4.014817 -0.057548 1.024659
N -0.239752 2.029503 -0.097405
N -4.927676 0.556461 -0.217091
C 2.630203 1.078299 -0.403196
C 2.154455 -0.292938 -0.281231
C 2.003621 2.195507 -1.207062
C 3.039825 -0.978515 0.620325
C 0.859043 2.936922 -0.459109
C 3.766740 1.173974 0.406083
C 1.065151 -1.002186 -0.870044
C 2.861438 -2.341022 0.954268
C 0.895755 -2.361466 -0.534341
C 1.781953 -3.023628 0.373148
C -1.560813 2.297530 -0.408353
C -2.576741 1.251328 -0.007686
C -2.312331 0.126980 0.817085
C -1.058682 -2.591803 -1.999345
C -3.903822 1.415532 -0.490453
C -3.360347 -0.772197 1.111694
C -4.644162 -0.521586 0.575658
H 2.770552 2.949435 -1.467448
H 1.602632 1.803940 -2.161575
H 1.268908 3.412724 0.454301
H 0.422370 3.728907 -1.091721
H 4.417375 2.029975 0.577952
H 4.791260 -0.257425 1.650816
H 0.400887 -0.501911 -1.580824
H 3.538598 -2.860340 1.641078
H 1.595123 -4.079249 0.591059
H 0.017895 1.143814 0.342219
H -1.320334 -0.061186 1.243375
H -1.623213 -1.752634 -1.547878
H -0.529043 -2.238220 -2.905842
H -1.752660 -3.401579 -2.268296
H -4.133383 2.282145 -1.118545
H -3.187416 -1.647542 1.745133
H -5.483096 -1.195542 0.783552


