%chk=000228018.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228018

0 1
O -0.259089 1.261690 1.946456
N 0.848695 0.176749 0.286161
C 2.150267 0.591443 0.873675
C 0.870895 -0.655154 -0.938756
C 2.799965 1.819876 0.186594
C 1.230477 -2.149045 -0.712793
C 1.796254 2.960141 0.002198
C 3.467084 1.443349 -1.140877
C 0.453184 -2.757220 0.455644
C 2.739025 -2.350667 -0.538648
C -0.320195 0.609607 0.910289
C -1.638158 0.262288 0.278398
C -2.098556 0.992633 -0.824886
C -2.432567 -0.738935 0.849006
C -3.352366 0.702972 -1.370101
C -3.684703 -1.025977 0.296347
C -4.143009 -0.308273 -0.813008
H 2.850235 -0.278592 0.847014
H 1.978719 0.836494 1.952441
H 1.605077 -0.201872 -1.654258
H -0.121493 -0.605442 -1.440273
H 3.602768 2.176894 0.884510
H 0.922226 -2.685997 -1.648937
H 2.297975 3.901684 -0.239137
H 1.207176 3.117855 0.918697
H 1.082125 2.748602 -0.800073
H 2.752712 0.961535 -1.825723
H 4.299484 0.748789 -0.991023
H 3.862960 2.328749 -1.650028
H 0.667776 -3.825640 0.564490
H -0.628112 -2.649599 0.314073
H 0.709893 -2.274602 1.406800
H 3.124462 -1.767759 0.313733
H 3.295194 -2.037880 -1.427948
H 2.981599 -3.402081 -0.350333
H -1.486200 1.788398 -1.247745
H -2.081251 -1.280052 1.727995
H -3.716211 1.269432 -2.225759
H -4.305963 -1.804321 0.736680
H -5.119651 -0.531770 -1.239794


%chk=000228018-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000228018

0 1
O -0.011112 0.806053 2.024321
N 1.062456 0.075285 0.079758
C 2.354715 0.605610 0.597530
C 1.101690 -0.896455 -1.045669
C 2.725973 2.022666 0.066811
C 1.345290 -2.392721 -0.663863
C 1.703168 3.103548 0.486381
C 2.951709 2.043033 -1.464109
C 0.229373 -2.959719 0.243445
C 2.738642 -2.677353 -0.054646
C -0.083115 0.333200 0.840959
C -1.444120 0.120245 0.216367
C -1.766687 0.630206 -1.068068
C -2.466058 -0.468776 1.002322
C -3.084325 0.527771 -1.567154
C -3.777860 -0.587928 0.496949
C -4.090994 -0.092508 -0.791551
H 3.155634 -0.099196 0.318609
H 2.284820 0.639892 1.699631
H 1.895979 -0.572424 -1.742812
H 0.145076 -0.848148 -1.590947
H 3.695464 2.261066 0.556774
H 1.294604 -2.927291 -1.638366
H 2.058159 4.108091 0.188838
H 1.530059 3.094996 1.576114
H 0.726187 2.933499 -0.003214
H 2.009345 1.828191 -2.002813
H 3.708980 1.299145 -1.778603
H 3.300613 3.039652 -1.792309
H 0.383837 -4.041505 0.412608
H -0.771889 -2.820872 -0.202337
H 0.233634 -2.463823 1.231885
H 2.828176 -2.249323 0.960402
H 3.554182 -2.266831 -0.680178
H 2.899481 -3.767999 0.033218
H -0.996042 1.136364 -1.661809
H -2.220905 -0.813004 2.012619
H -3.326091 0.937476 -2.554278
H -4.557487 -1.054856 1.109009
H -5.111860 -0.176956 -1.180723


