%chk=000289947.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289947

0 1
O 0.038946 1.043487 3.105270
O -1.901669 -1.159783 2.543560
N -2.099623 0.082199 0.593621
N 1.721241 -0.142234 0.409677
N 1.037071 -0.521012 1.612908
C -0.109197 1.463003 0.711221
C -0.109296 0.404869 1.853378
C 1.236702 1.236757 -0.021228
C -1.350107 1.134382 -0.151283
C -3.342326 -0.534655 0.055101
C -1.459149 -0.364333 1.742863
C -4.429809 0.536279 -0.164030
C -3.047626 -1.302791 -1.250121
C 2.297451 2.248083 0.363489
C -5.712176 -0.126243 -0.685465
C -4.333222 -1.959310 -1.768966
C -5.448634 -0.923752 -1.970579
C 1.577628 -1.145064 -0.640241
C 3.070740 2.834288 -0.650273
C 2.526503 2.599393 1.701434
C 2.381536 -0.961046 -1.783492
C 0.765863 -2.286039 -0.524848
C 4.058674 3.768319 -0.326486
C 3.516265 3.533128 2.019746
C 4.282955 4.120049 1.008165
C 2.356739 -1.913859 -2.802089
C 0.756526 -3.230367 -1.553494
C 1.542752 -3.046775 -2.695002
H -0.178771 2.490178 1.132804
H 1.082640 1.263907 -1.130335
H -1.993799 2.029047 -0.286184
H -1.071483 0.766859 -1.162509
H -3.697588 -1.264063 0.839171
H 1.724215 -0.462438 2.390899
H -4.085846 1.302760 -0.882425
H -4.632735 1.069830 0.783843
H -2.268082 -2.069090 -1.072494
H -2.635517 -0.623999 -2.019296
H -6.482039 0.646193 -0.871320
H -6.133528 -0.793959 0.091526
H -4.669320 -2.741295 -1.060065
H -4.126659 -2.482482 -2.721711
H -6.376971 -1.429745 -2.295812
H -5.173882 -0.232749 -2.790401
H -0.359803 0.495367 3.831346
H 2.910402 2.562488 -1.691722
H 1.933895 2.145702 2.500395
H 3.040397 -0.097477 -1.856486
H 0.161098 -2.445121 0.370273
H 4.656670 4.220194 -1.116092
H 3.690997 3.801633 3.060716
H 5.053664 4.846196 1.259076
H 2.981637 -1.776220 -3.683520
H 0.131746 -4.118190 -1.461252
H 1.529108 -3.785697 -3.492262


%chk=000289947-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000289947

0 1
O 0.005168 1.078066 3.093549
O -2.023947 -0.840837 2.658895
N -2.084914 0.101711 0.479227
N 1.595164 -0.093169 0.242669
N 0.997374 -0.438650 1.506469
C -0.120504 1.513697 0.583482
C -0.141958 0.507572 1.771856
C 1.286083 1.353309 -0.064447
C -1.261627 1.005373 -0.358466
C -3.363095 -0.495019 0.032124
C -1.520840 -0.181028 1.697498
C -4.448345 0.577413 -0.237139
C -3.164846 -1.411352 -1.202623
C 2.363670 2.312849 0.437757
C -5.785548 -0.093170 -0.637806
C -4.502431 -2.081050 -1.599062
C -5.606809 -1.028423 -1.858221
C 1.574028 -1.087017 -0.778743
C 3.337327 2.791820 -0.475820
C 2.444899 2.717762 1.796126
C 2.092271 -0.792341 -2.073804
C 1.103937 -2.404295 -0.511844
C 4.374796 3.649220 -0.049757
C 3.485363 3.573258 2.223849
C 4.453895 4.041109 1.306671
C 2.097744 -1.781152 -3.080523
C 1.122489 -3.382402 -1.527168
C 1.609703 -3.082839 -2.821960
H -0.320785 2.534094 0.943080
H 1.209890 1.456351 -1.160612
H -1.875826 1.839541 -0.741285
H -0.846205 0.453443 -1.222780
H -3.695341 -1.119680 0.885759
H 1.685983 -0.336431 2.270371
H -4.121068 1.245363 -1.060784
H -4.583058 1.204035 0.664741
H -2.394486 -2.173438 -0.980773
H -2.793000 -0.810706 -2.058404
H -6.542459 0.684380 -0.855862
H -6.169478 -0.681547 0.220825
H -4.827301 -2.758787 -0.783036
H -4.352874 -2.710811 -2.496631
H -6.564391 -1.530351 -2.095312
H -5.332986 -0.422534 -2.746929
H -0.599101 0.555055 3.694494
H 3.285139 2.491261 -1.530603
H 1.698319 2.375244 2.520993
H 2.526974 0.190287 -2.285880
H 0.735286 -2.631952 0.491719
H 5.116958 4.010603 -0.770536
H 3.536874 3.877569 3.275504
H 5.257503 4.706096 1.642562
H 2.504146 -1.533905 -4.068340
H 0.752853 -4.389816 -1.301798
H 1.624593 -3.848976 -3.604271


