%chk=000280085.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000280085

0 1
O 2.606371 -1.669538 1.318079
O 2.639298 -2.478308 -0.793718
N 0.714233 1.634881 -0.700626
N -1.871094 2.175926 -1.973585
C -0.027990 -0.489815 -0.374110
C -0.437718 0.827857 -0.641966
C 1.397498 -0.466661 -0.253625
C 1.839143 0.853162 -0.454883
C -1.767074 1.402314 -0.883445
C -0.873109 -1.677411 -0.252228
C -2.876749 1.161537 0.009397
C 3.192810 1.408261 -0.414215
C -4.135274 1.719607 -0.346157
C 2.249956 -1.637102 -0.022249
C -0.676030 -2.572623 0.813537
C -1.878858 -1.931485 -1.199530
C -2.765914 0.424362 1.228243
C 3.643352 2.273039 -1.425108
C 4.045224 1.064969 0.648520
C -4.230850 2.509581 -1.532515
C -5.267919 1.491952 0.498418
C -3.101071 2.724321 -2.290122
C -3.865589 0.227828 2.025938
C -1.482409 -3.706352 0.929779
C -2.680384 -3.069078 -1.076528
C -5.133640 0.760838 1.651819
C 4.936674 2.797779 -1.363349
C 5.336174 1.594426 0.701821
C -2.485499 -3.956178 -0.013034
C 5.782224 2.462388 -0.300645
C 3.446073 -2.775078 1.772247
C 2.606396 -4.023732 1.950839
H 0.708135 2.615447 -0.930476
H 0.110641 -2.378234 1.545187
H -2.025582 -1.244184 -2.032629
H -1.791087 0.022448 1.515322
H 2.996320 2.519788 -2.265736
H 3.692087 0.378786 1.424941
H -5.190549 2.935521 -1.816036
H -6.229657 1.910570 0.206758
H -3.106495 3.336584 -3.198709
H -3.786855 -0.337847 2.953425
H -1.327972 -4.398992 1.754986
H -3.457238 -3.265510 -1.813706
H -5.990042 0.579019 2.301332
H 5.288240 3.465547 -2.148727
H 5.997035 1.329130 1.525891
H -3.110980 -4.841655 0.078899
H 6.789587 2.873531 -0.256264
H 4.264226 -2.918537 1.043404
H 3.832719 -2.370931 2.724794
H 3.197365 -4.849034 2.363881
H 1.756085 -3.848972 2.620690
H 2.196961 -4.363144 0.985971


%chk=000280085-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000280085

0 1
O 3.224499 -1.748861 1.018679
O 1.811760 -3.004301 -0.346126
N 0.693160 1.428427 -0.452335
N -1.522042 2.527306 -1.479539
C -0.141159 -0.636441 -0.069646
C -0.498010 0.703118 -0.371938
C 1.302154 -0.662164 0.083778
C 1.799668 0.652465 -0.161477
C -1.731809 1.466287 -0.645047
C -1.039050 -1.815763 -0.004578
C -3.034267 1.203668 -0.059758
C 3.142593 1.264371 -0.263534
C -4.154270 1.995240 -0.533590
C 2.089263 -1.907714 0.200415
C -0.978887 -2.722310 1.087536
C -1.976219 -2.065420 -1.041862
C -3.262622 0.259100 0.991724
C 3.407223 2.164546 -1.337512
C 4.161126 1.043484 0.702872
C -3.904370 3.043753 -1.477058
C -5.464349 1.748572 -0.006706
C -2.590828 3.298723 -1.872192
C -4.545979 0.056217 1.505127
C -1.834357 -3.842249 1.144133
C -2.833781 -3.184626 -0.986095
C -5.659687 0.789120 0.988220
C 4.650742 2.822075 -1.440773
C 5.403897 1.703222 0.595367
C -2.768005 -4.078377 0.107708
C 5.656460 2.595257 -0.472712
C 4.115594 -2.943492 1.137654
C 3.636042 -3.867333 2.261241
H 0.684181 2.411982 -0.734110
H -0.261964 -2.542260 1.897326
H -2.018244 -1.385146 -1.899792
H -2.421058 -0.300792 1.403244
H 2.648596 2.320546 -2.114364
H 3.964729 0.359970 1.531275
H -4.730380 3.656484 -1.852941
H -6.306013 2.340868 -0.384529
H -2.347945 4.132339 -2.539536
H -4.700815 -0.670910 2.309245
H -1.772223 -4.531415 1.994081
H -3.547297 -3.362440 -1.798542
H -6.662414 0.608229 1.391102
H 4.837749 3.501467 -2.279810
H 6.174980 1.526493 1.353756
H -3.430542 -4.950282 0.149638
H 6.623036 3.105234 -0.551077
H 4.130817 -3.469754 0.167283
H 5.106590 -2.509655 1.350628
H 4.354123 -4.697818 2.395774
H 3.558753 -3.319105 3.216408
H 2.652051 -4.298935 2.013161


