%chk=000202082.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202082

0 1
O 0.179427 2.212890 0.668449
N -2.666679 0.603883 -0.308811
N 2.099359 0.826734 1.069208
N 3.463546 0.900183 1.030038
C -3.768170 0.401115 0.689944
C -3.162035 0.446291 -1.717717
C -2.005040 1.935111 -0.124508
C -3.154622 0.055190 2.058355
C -3.426272 -1.041078 -2.011700
C -0.541276 1.841225 -0.566228
C 1.524163 2.025067 0.611065
C -4.237761 -0.177048 3.106613
C -3.887301 -1.245998 -3.450584
C 1.405817 -0.394644 1.527068
C 2.569931 2.882439 0.266778
C 3.766931 2.147216 0.545854
C 1.233052 -1.380163 0.394332
C 5.158867 2.610285 0.363143
C 2.349951 -2.044560 -0.134125
C -0.042113 -1.631470 -0.126950
C 2.186087 -2.961799 -1.174763
C -0.197656 -2.543258 -1.175039
C 0.911911 -3.213166 -1.697077
H -4.404161 -0.447200 0.348628
H -4.441072 1.279803 0.777468
H -2.376483 0.819584 -2.410633
H -4.074556 1.045380 -1.923436
H -2.015018 2.213102 0.961895
H -2.520788 2.763627 -0.652183
H -2.516287 -0.845856 1.959875
H -2.473241 0.866129 2.387408
H -2.501175 -1.630394 -1.817660
H -4.183434 -1.440044 -1.306964
H -0.234623 0.824238 -0.869677
H -0.265530 2.576569 -1.336842
H -4.862830 0.711495 3.251227
H -4.900631 -1.005181 2.830722
H -3.796343 -0.425264 4.079314
H -4.813532 -0.700533 -3.664484
H -3.133082 -0.908439 -4.171164
H -4.079680 -2.305861 -3.655364
H 1.993717 -0.860368 2.356396
H 0.418966 -0.088380 1.954028
H 2.497230 3.880835 -0.102307
H 5.889832 1.842757 0.663164
H 5.357472 2.861939 -0.688932
H 5.358701 3.508728 0.965659
H 3.345061 -1.828768 0.260503
H -0.919452 -1.107629 0.267342
H 3.053079 -3.478158 -1.582951
H -1.195755 -2.712606 -1.589240
H 0.787896 -3.925449 -2.509935


%chk=000202082-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000202082

0 1
O 0.021934 1.668756 0.721249
N -2.759224 0.937466 -0.215052
N 2.190000 0.741063 0.967613
N 3.531930 0.933475 0.604138
C -3.814075 0.348294 0.654571
C -3.126839 0.951730 -1.656609
C -2.288062 2.254246 0.273096
C -3.258006 -0.284451 1.948755
C -2.960765 -0.422063 -2.340873
C -0.832628 2.558082 -0.089751
C 1.376534 1.721306 0.436374
C -4.382526 -0.834503 2.852505
C -3.373986 -0.384400 -3.828064
C 1.778819 -0.455325 1.719484
C 2.190225 2.600288 -0.299365
C 3.516750 2.067260 -0.163085
C 1.471003 -1.658425 0.829587
C 4.801240 2.604087 -0.733063
C 2.417563 -2.701783 0.685557
C 0.235663 -1.743070 0.135467
C 2.137566 -3.818797 -0.134753
C -0.042951 -2.858371 -0.685875
C 0.904178 -3.900848 -0.821109
H -4.333253 -0.439412 0.077361
H -4.595413 1.107017 0.919516
H -2.468089 1.674521 -2.176490
H -4.174618 1.319593 -1.807595
H -2.368994 2.278055 1.374125
H -2.918418 3.095846 -0.113161
H -2.556492 -1.092819 1.670000
H -2.663005 0.462103 2.510174
H -1.903479 -0.732394 -2.242147
H -3.565902 -1.182660 -1.809048
H -0.624294 2.377076 -1.162857
H -0.588962 3.613866 0.151032
H -5.078834 -0.031328 3.160991
H -4.974752 -1.608738 2.328598
H -3.968579 -1.292325 3.768841
H -4.436052 -0.095184 -3.943095
H -2.764112 0.345082 -4.394141
H -3.240688 -1.372422 -4.304320
H 2.604952 -0.686114 2.412463
H 0.887780 -0.176524 2.308579
H 1.890587 3.493851 -0.841586
H 5.638512 1.948438 -0.441421
H 4.764827 2.650273 -1.837379
H 5.014220 3.624823 -0.364486
H 3.379127 -2.632421 1.208036
H -0.498170 -0.931221 0.224849
H 2.878216 -4.619855 -0.239404
H -1.000478 -2.915777 -1.216874
H 0.684417 -4.766864 -1.456155


