%chk=000207722.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207722

0 1
O 5.007380 -1.917726 -0.028468
N -0.906958 0.644866 0.095246
N 0.445069 2.571893 -0.135808
C -1.060645 -0.824886 0.075100
C -0.579474 -1.499118 1.389092
C 0.723321 -0.923515 1.962306
C 1.767836 -0.645236 0.917136
C 1.572657 0.404727 -0.014271
C 0.289059 1.165377 0.012176
C -2.530575 -1.156361 -0.135273
C 2.940168 -1.395987 0.873420
C 2.546021 0.675809 -0.980997
C -0.774825 3.421358 0.002643
C 3.908459 -1.096643 -0.107124
C -2.870303 -2.275610 -0.910716
C -3.545494 -0.385256 0.448888
C 3.728298 -0.066508 -1.039220
C -0.405017 4.889309 -0.257028
C -4.212340 -2.619649 -1.094965
C -4.886026 -0.730989 0.258880
C -5.222489 -1.849531 -0.510390
C -1.639312 5.782192 -0.172298
C 6.074005 -1.722773 -0.989569
H -0.465257 -1.260468 -0.777025
H -0.461822 -2.583282 1.198870
H -1.371623 -1.408274 2.160217
H 1.111992 -1.617871 2.735486
H 0.497203 0.020320 2.507533
H 3.125713 -2.210310 1.569825
H 2.377436 1.476679 -1.706374
H 1.263065 2.950959 0.344017
H -1.526737 3.066231 -0.742098
H -1.251928 3.299835 0.999731
H -2.092285 -2.877701 -1.374862
H -3.280665 0.494772 1.036932
H 4.472336 0.157063 -1.794387
H 0.357255 5.232654 0.468790
H 0.063066 4.985492 -1.258128
H -4.470547 -3.488038 -1.697443
H -5.669978 -0.126033 0.709833
H -6.266039 -2.117573 -0.655966
H -2.398514 5.492531 -0.909333
H -2.109474 5.734276 0.816833
H -1.382414 6.830395 -0.363586
H 6.509322 -0.725920 -0.876500
H 5.706605 -1.896751 -2.004992
H 6.788775 -2.501030 -0.690932


%chk=000207722-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000207722

0 1
O 5.018820 -1.967652 -0.142620
N -0.962480 0.681682 0.275826
N 0.394586 2.580902 0.068028
C -1.095089 -0.792316 0.187654
C -0.648475 -1.493914 1.514108
C 0.713273 -0.956335 2.042321
C 1.739064 -0.677367 0.954412
C 1.521371 0.408644 0.045241
C 0.246308 1.197538 0.144071
C -2.537201 -1.184809 -0.140553
C 2.922096 -1.431905 0.848079
C 2.497167 0.699257 -0.936419
C -0.755576 3.492894 0.139241
C 3.890336 -1.134637 -0.144496
C -2.811145 -2.444570 -0.730351
C -3.620322 -0.330421 0.180226
C 3.683067 -0.061513 -1.045676
C -0.351431 4.927197 -0.254752
C -4.140444 -2.848771 -0.989085
C -4.950894 -0.732203 -0.075579
C -5.217660 -1.993353 -0.658695
C -1.537099 5.909066 -0.142017
C 6.053989 -1.710379 -1.146658
H -0.436704 -1.196421 -0.615234
H -0.594148 -2.583368 1.323944
H -1.420291 -1.335716 2.291247
H 1.123709 -1.669302 2.780579
H 0.511580 -0.010750 2.582169
H 3.120969 -2.261188 1.534898
H 2.315831 1.516340 -1.643926
H 1.326257 2.966374 0.227875
H -1.540148 3.102752 -0.534803
H -1.197660 3.487005 1.159472
H -1.979041 -3.109072 -0.998910
H -3.391685 0.650675 0.607447
H 4.414239 0.180527 -1.822466
H 0.475564 5.274388 0.400164
H 0.039944 4.923517 -1.290926
H -4.335638 -3.823402 -1.451740
H -5.780888 -0.060539 0.174640
H -6.249810 -2.303010 -0.860035
H -2.369630 5.601609 -0.801685
H -1.924618 5.946871 0.893180
H -1.237987 6.932953 -0.429650
H 6.487330 -0.698065 -1.028524
H 5.656408 -1.826642 -2.173683
H 6.828453 -2.468872 -0.961136


