%chk=000289651.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289651

0 1
O 0.499548 1.143681 3.156208
O 1.285565 -2.369499 1.113460
O -2.920196 2.040634 1.788177
O -3.306714 4.670228 -1.931997
N -2.564017 1.030126 -0.269112
N -3.159046 3.357001 -0.089168
C -0.300787 -0.865700 1.989233
C -0.682659 -0.389937 0.577805
C -0.580908 0.189047 3.075551
C 1.187045 -1.253867 2.034322
C -2.198814 -0.263740 0.386407
C 0.187959 2.478619 2.705879
C 2.644275 -2.837861 0.929740
C -2.879587 2.146012 0.573718
C -2.439664 1.179232 -1.655428
C 0.748082 2.748155 1.333773
C 2.562936 -3.988200 -0.037848
C -2.690883 2.364978 -2.263237
C -3.067596 3.556830 -1.521350
C 1.835927 2.012487 0.844517
C 3.714806 -4.376943 -0.738569
C 0.195138 3.773841 0.552597
C 1.360287 -4.681944 -0.228063
C 2.363548 2.294994 -0.417448
C 3.658273 -5.457815 -1.622228
C 0.725197 4.053426 -0.709907
C 1.309625 -5.759230 -1.116625
C 1.808989 3.315541 -1.197034
C 2.457513 -6.149802 -1.813330
H -0.899888 -1.782225 2.228727
H -0.174096 0.575066 0.367517
H -0.257998 -1.105370 -0.160346
H -1.551314 0.699548 2.914039
H -0.570838 -0.268562 4.083564
H 1.496280 -1.586400 3.039283
H 1.840653 -0.421846 1.701072
H -2.737465 -0.310206 1.365652
H -2.596649 -1.098927 -0.229757
H 0.702203 3.107706 3.463152
H -0.905146 2.659588 2.756779
H 3.044881 -3.168854 1.907537
H 3.257368 -2.005423 0.537451
H -2.142081 0.282222 -2.216221
H -3.431922 4.159024 0.496611
H -2.618610 2.487424 -3.344744
H 2.250407 1.205239 1.458960
H 4.651522 -3.842398 -0.597817
H -0.641058 4.360368 0.928260
H 0.470095 -4.367056 0.319746
H 3.209400 1.722309 -0.793458
H 4.552351 -5.761148 -2.164298
H 0.292644 4.850224 -1.314748
H 0.374419 -6.296400 -1.264098
H 2.221456 3.537548 -2.179079
H 2.417443 -6.990444 -2.502728


%chk=000289651-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000289651

0 1
O 0.712629 1.242179 3.423436
O 1.132712 -2.317602 0.937250
O -2.640083 2.856944 0.910120
O -4.139852 3.060700 -3.519439
N -2.819735 0.841131 -0.294475
N -3.398861 2.897689 -1.306904
C -0.230510 -0.729098 2.153882
C -0.770439 -0.059803 0.864185
C -0.290470 0.168219 3.415974
C 1.203621 -1.240589 1.934922
C -2.307786 0.077667 0.874259
C 0.278251 2.565543 2.922559
C 2.459136 -2.777737 0.521588
C -2.933096 2.246516 -0.159141
C -3.109412 0.203823 -1.497841
C 1.164962 3.042788 1.780425
C 2.316799 -3.960820 -0.419919
C -3.552928 0.872949 -2.612804
C -3.735237 2.322476 -2.577888
C 2.529072 2.662085 1.715416
C 3.392990 -4.310671 -1.273660
C 0.642533 3.916121 0.792984
C 1.137963 -4.744949 -0.438730
C 3.358396 3.149050 0.680090
C 3.298146 -5.432919 -2.126103
C 1.474312 4.406419 -0.240159
C 1.040587 -5.864969 -1.295985
C 2.834642 4.024990 -0.300153
C 2.119649 -6.215257 -2.139851
H -0.854205 -1.624412 2.375462
H -0.308145 0.935697 0.734744
H -0.462070 -0.680226 0.001874
H -1.308246 0.588112 3.553964
H -0.052518 -0.445483 4.305479
H 1.628702 -1.633454 2.885011
H 1.857062 -0.418769 1.574762
H -2.646473 0.616630 1.774843
H -2.787540 -0.918631 0.864187
H 0.365355 3.263374 3.780477
H -0.781904 2.548141 2.602561
H 3.046211 -3.073269 1.422444
H 3.011128 -1.949604 0.023879
H -2.961619 -0.879916 -1.496375
H -3.503420 3.914532 -1.228237
H -3.778556 0.346935 -3.540431
H 2.924379 1.981693 2.477298
H 4.307493 -3.703435 -1.276396
H -0.416456 4.199856 0.830710
H 0.306903 -4.460723 0.213242
H 4.412307 2.849804 0.639509
H 4.137118 -5.692272 -2.781705
H 1.060161 5.079187 -1.000004
H 0.123065 -6.464820 -1.304903
H 3.478204 4.403739 -1.102317
H 2.042972 -7.084264 -2.803016


