%chk=000216805.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216805

1 1
O -1.614331 1.265014 2.353784
O 1.828121 0.097467 -0.944523
O 4.409738 -0.981611 -1.546225
O 6.108087 -1.506028 0.510125
O 0.605717 0.782251 2.840685
N -3.485189 1.455052 1.240529
N -0.107493 0.401274 0.725499
N -2.931561 1.634808 2.414241
C -4.921571 1.766533 0.979207
C -5.730215 0.483855 0.759148
C -5.368233 -0.228200 -0.516319
C -2.571374 0.948469 0.316350
C -1.360561 0.821357 1.019664
C 2.271162 -0.075751 1.342180
C -4.736925 -1.479023 -0.467460
C -5.676312 0.350746 -1.756945
C 2.743973 -0.239842 0.009894
C 0.964433 0.403431 1.749423
C 4.042238 -0.721100 -0.238658
C 3.159695 -0.377077 2.410132
C 4.887274 -1.043082 0.860946
C 4.435088 -0.852847 2.185651
C -4.414672 -2.144726 -1.654341
C -5.348620 -0.317834 -2.939124
C -4.715662 -1.564744 -2.890121
C 2.162473 -0.033644 -2.359826
C 5.625711 -0.309670 -1.987478
C 7.050895 -1.862354 1.564839
H -5.335193 2.347337 1.845476
H -4.971112 2.434929 0.081282
H -5.641465 -0.193906 1.637278
H -6.815615 0.752823 0.737525
H -2.815266 0.692236 -0.710056
H -4.515843 -1.950048 0.489287
H -6.192925 1.307978 -1.807268
H 0.093437 0.089428 -0.249896
H 2.805038 -0.224947 3.439816
H 5.083931 -1.084041 3.030248
H -3.939750 -3.126232 -1.614423
H -5.599566 0.127733 -3.903400
H -4.472862 -2.090093 -3.814854
H 2.454138 -1.069211 -2.581276
H 2.971645 0.661419 -2.607482
H 1.218144 0.247032 -2.837815
H 5.661754 -0.594946 -3.046087
H 5.539856 0.770319 -1.858250
H 6.490312 -0.714407 -1.446897
H 7.910348 -2.210497 0.971792
H 7.310513 -0.979673 2.156151
H 6.646396 -2.674357 2.176671


%chk=000216805-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216805

1 1
O -1.848528 1.340416 2.635785
O 1.477896 0.008528 -0.774157
O 3.928700 -1.122593 -1.585089
O 5.933355 -1.611104 0.307693
O 0.681788 0.674930 3.305166
N -3.554637 1.537462 1.256863
N -0.138191 0.597450 1.102744
N -3.252800 1.705987 2.571657
C -4.965909 1.784430 0.841149
C -5.725206 0.464586 0.532687
C -5.140915 -0.324883 -0.631062
C -2.510634 1.105994 0.475404
C -1.407404 0.978081 1.345264
C 2.205184 -0.036665 1.545278
C -4.530575 -1.586246 -0.413360
C -5.184406 0.197024 -1.951766
C 2.510235 -0.255565 0.158835
C 0.910716 0.437848 2.092239
C 3.767224 -0.775385 -0.241743
C 3.215835 -0.306460 2.505011
C 4.751753 -1.052376 0.765802
C 4.473188 -0.792342 2.131878
C -3.972276 -2.312910 -1.491442
C -4.623514 -0.524473 -3.029221
C -4.012751 -1.781438 -2.800695
C 1.775699 0.551191 -2.126626
C 5.148992 -0.675704 -2.308365
C 6.963008 -1.999276 1.293018
H -5.438938 2.329630 1.674151
H -4.931376 2.441059 -0.043917
H -5.763564 -0.151388 1.448767
H -6.765182 0.773072 0.311724
H -2.610352 0.903892 -0.585331
H -4.508661 -2.013106 0.596873
H -5.684716 1.154535 -2.148319
H 0.194236 0.380401 0.120052
H 2.974783 -0.125365 3.556744
H 5.223392 -0.994946 2.899563
H -3.519535 -3.293571 -1.310979
H -4.680425 -0.119766 -4.045319
H -3.591402 -2.347732 -3.637816
H 2.107655 -0.260895 -2.785282
H 2.547144 1.337596 -2.059296
H 0.822704 0.983267 -2.471597
H 4.980048 -0.984137 -3.350464
H 5.251838 0.424224 -2.245697
H 6.042663 -1.166365 -1.897577
H 7.770703 -2.439651 0.692769
H 7.337381 -1.115115 1.839625
H 6.563578 -2.750545 1.997476


