%chk=000185411.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185411

0 1
O -3.675251 1.929007 0.075939
O -1.797854 3.558377 -2.127315
O -5.624692 0.951446 -1.662275
O -3.609501 -4.091019 2.423648
N -2.417007 0.262357 1.177183
N -1.708760 -1.655971 2.259056
N -0.183649 0.330923 2.246899
N -4.711188 -0.573124 0.542479
N 4.324091 -0.186963 -0.942637
N -5.127534 -2.879740 1.204752
N 4.505242 1.277829 0.842828
N 1.981073 -0.974056 -0.531523
N -6.815475 -1.612418 0.105134
C -2.407129 1.674592 0.706353
C -1.306433 1.955934 -0.325058
C -2.017492 2.222689 -1.659868
C -3.531972 2.183652 -1.347987
C -4.278253 1.099177 -2.134259
C -3.453085 -0.675003 1.124328
C -1.359288 -0.404991 1.916586
C -3.000096 -1.851906 1.780556
C 0.993171 0.099270 1.445256
C -3.862864 -3.048795 1.879875
C 2.140938 0.850324 1.738577
C -5.519108 -1.758478 0.635861
C 3.237042 0.685258 0.855168
C 3.093955 -0.232428 -0.254016
C 0.965935 -0.803385 0.323946
C 5.153210 0.753842 -0.227303
C 2.243426 1.768590 2.903086
C 6.489033 0.985779 -0.734194
C 4.763412 -0.874955 -2.078555
C 6.892273 0.305212 -1.851411
C 6.030900 -0.626678 -2.524870
C 7.347249 1.952251 0.001396
H -2.391960 2.345502 1.601818
H -0.578633 1.124656 -0.407864
H -0.704451 2.833982 -0.012908
H -1.704318 1.515738 -2.456649
H -3.994561 3.192907 -1.477874
H -3.853450 0.085542 -1.980908
H -4.297972 1.333930 -3.215870
H -0.854259 3.703270 -2.350007
H 0.015155 0.275097 3.261037
H -5.056845 0.328500 0.167487
H -6.098197 1.812918 -1.687911
H 0.075510 -1.425552 0.140869
H 2.281396 1.212099 3.851939
H 3.166361 2.374562 2.861779
H 1.397979 2.469249 2.954134
H 4.059814 -1.576279 -2.538407
H -7.354109 -2.475730 0.048065
H -6.918153 -1.016648 -0.710806
H 7.892716 0.453597 -2.260708
H 6.414426 -1.140558 -3.406276
H 6.860177 2.939039 0.076326
H 8.329443 2.097084 -0.463895
H 7.513114 1.619195 1.040392


%chk=000185411-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000185411

0 1
O -3.748773 1.980391 0.072219
O -1.585258 2.749025 -2.688538
O -5.798278 1.042420 -1.607596
O -3.673793 -3.980190 2.674373
N -2.423826 0.278507 1.148330
N -1.724952 -1.597586 2.281740
N -0.152435 0.281723 2.157447
N -4.744906 -0.532284 0.610961
N 4.329520 0.022325 -1.059702
N -5.199856 -2.810363 1.315940
N 4.611272 1.158474 0.951238
N 1.956903 -0.622066 -0.803071
N -6.746241 -1.597259 0.016279
C -2.476036 1.722819 0.762299
C -1.393386 2.166382 -0.235250
C -2.006135 1.842187 -1.621418
C -3.522111 2.064064 -1.403870
C -4.414966 1.041546 -2.126983
C -3.484879 -0.628627 1.167798
C -1.368154 -0.373894 1.874512
C -3.048167 -1.780662 1.849260
C 0.998255 0.174403 1.329411
C -3.950477 -2.943852 2.010960
C 2.212815 0.789734 1.750380
C -5.538926 -1.695539 0.681796
C 3.300877 0.674953 0.848699
C 3.092905 -0.028709 -0.387115
C 0.919361 -0.517390 0.072545
C 5.218431 0.758147 -0.201882
C 2.349444 1.519667 3.065455
C 6.568335 0.968058 -0.640812
C 4.712599 -0.502538 -2.281908
C 6.939311 0.437652 -1.880909
C 6.017055 -0.299396 -2.703807
C 7.504315 1.739261 0.258158
H -2.483507 2.324688 1.686678
H -0.418523 1.687804 -0.071534
H -1.277584 3.262601 -0.158296
H -1.795638 0.787591 -1.898173
H -3.777018 3.097649 -1.707478
H -4.063871 0.012073 -1.951460
H -4.396094 1.248144 -3.215066
H -0.652800 2.543991 -2.950074
H 0.034985 0.441409 3.150243
H -5.094919 0.338661 0.189402
H -6.205444 1.936726 -1.727092
H -0.005906 -1.031323 -0.206586
H 2.200657 0.842163 3.930703
H 3.360550 1.947908 3.148155
H 1.611406 2.340675 3.156274
H 3.949436 -1.054812 -2.834146
H -7.354857 -2.410622 0.054882
H -6.922398 -0.837681 -0.641932
H 7.965552 0.584231 -2.234806
H 6.336467 -0.709254 -3.664936
H 7.103704 2.747869 0.467566
H 8.504408 1.838724 -0.196041
H 7.605051 1.238101 1.238176


