%chk=000213589.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213589

0 1
O 5.378502 1.218179 1.772876
N 0.072114 1.665938 -0.296503
N 3.559277 0.625909 0.528273
N -6.819832 1.180046 0.029336
C 2.685390 1.693827 1.086963
C 2.306161 2.712824 -0.004963
C 1.416990 1.078690 1.708308
C 1.293299 2.157265 -1.016452
C 0.425287 0.563110 0.655751
C -0.972734 1.220941 -1.278582
C -2.336830 1.153744 -0.572496
C -3.466926 0.870699 -1.574847
C -4.770282 0.726286 -0.875748
C 4.883104 0.476417 0.939988
C -5.267299 -0.481425 -0.256388
C -5.725062 1.714313 -0.686761
C -6.553359 -0.169272 0.302999
C 5.624960 -0.643590 0.270847
C -4.761184 -1.787090 -0.117284
C -7.324449 -1.132619 0.986803
C -5.520379 -2.729562 0.554544
C 6.820784 -0.351850 -0.397947
C 5.156042 -1.961155 0.343767
C -6.790279 -2.403133 1.100791
C 7.539006 -1.382164 -1.011662
C 5.881418 -2.987799 -0.267595
C 7.069237 -2.698194 -0.947903
H 3.271510 2.222487 1.892632
H 3.211211 3.064071 -0.534908
H 1.871339 3.606196 0.490410
H 0.919649 1.857939 2.323446
H 1.684342 0.261951 2.404323
H 0.978024 2.975977 -1.700951
H 1.769451 1.376730 -1.647099
H 0.835718 -0.334358 0.146040
H -0.511832 0.240365 1.163904
H -1.023415 1.971431 -2.098372
H -0.736098 0.246466 -1.755763
H -2.329801 0.376308 0.216445
H -2.528629 2.107596 -0.039895
H 3.159770 0.036404 -0.192429
H -3.246553 -0.053016 -2.149978
H -3.520035 1.684654 -2.326857
H -5.710278 2.741946 -1.001096
H -7.639781 1.684778 0.297379
H -3.788760 -2.035903 -0.535395
H -8.293107 -0.879450 1.402476
H -5.149758 -3.745001 0.674319
H 7.191088 0.674306 -0.427028
H 4.238476 -2.188590 0.885332
H -7.347865 -3.181503 1.620377
H 8.468444 -1.159245 -1.533724
H 5.523320 -4.014409 -0.210033
H 7.632116 -3.500066 -1.424269


%chk=000213589-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213589

0 1
O 5.545949 1.718731 0.748028
N 0.129374 1.737892 -0.151801
N 3.528311 0.572180 0.730616
N -6.957165 1.038976 -0.211841
C 2.753705 1.727588 1.239016
C 2.408022 2.730731 0.105547
C 1.449390 1.240611 1.909082
C 1.368676 2.145332 -0.866727
C 0.422336 0.716949 0.879919
C -0.935525 1.320960 -1.098349
C -2.327915 1.180048 -0.450075
C -3.436201 0.977585 -1.522109
C -4.802975 0.731318 -0.931142
C 4.894690 0.645507 0.526785
C -5.267602 -0.495113 -0.299745
C -5.861552 1.636363 -0.858011
C -6.621191 -0.272440 0.142053
C 5.575540 -0.604461 0.021141
C -4.673755 -1.766113 -0.073595
C -7.378643 -1.269900 0.795454
C -5.423529 -2.765675 0.576166
C 6.861267 -0.453855 -0.558251
C 5.008719 -1.903040 0.116520
C -6.761233 -2.519501 1.007889
C 7.558842 -1.574036 -1.055329
C 5.708844 -3.025729 -0.377937
C 6.982595 -2.863812 -0.970908
H 3.403406 2.234977 1.974401
H 3.332032 3.006041 -0.433067
H 1.994122 3.648061 0.565563
H 0.996060 2.096832 2.440901
H 1.670408 0.454956 2.656608
H 1.097426 2.904420 -1.623408
H 1.821902 1.278695 -1.418951
H 0.794256 -0.237982 0.406338
H -0.511638 0.456536 1.406773
H -0.993501 2.098389 -1.886302
H -0.671371 0.359549 -1.617421
H -2.354157 0.326447 0.253325
H -2.543304 2.090033 0.140582
H 3.014330 -0.259331 0.436369
H -3.150544 0.123711 -2.171380
H -3.465312 1.870251 -2.177390
H -5.915440 2.662176 -1.219145
H -7.854162 1.486007 -0.038273
H -3.648697 -1.969947 -0.404527
H -8.407589 -1.088133 1.126230
H -4.978657 -3.750969 0.755307
H 7.290630 0.552653 -0.597362
H 4.040327 -2.059666 0.607614
H -7.318966 -3.317019 1.511633
H 8.549364 -1.444763 -1.505225
H 5.267410 -4.024843 -0.291912
H 7.524197 -3.735775 -1.354276


