%chk=000183279.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183279

0 1
O 2.521052 -4.162184 2.365435
N -4.338400 -0.016857 -0.432312
N -0.688046 0.181328 1.326920
N 3.563881 0.265607 -0.769399
N -0.164338 2.030013 -0.072137
C 1.478628 0.252746 0.220858
C -3.063097 -0.503187 1.626208
C -3.425511 -1.011654 0.217538
C 2.372672 0.984262 -0.633592
C -2.068865 0.664972 1.580944
C 2.156389 -0.954209 0.622322
C 0.198324 0.819272 0.486285
C 3.456365 -0.931649 -0.004888
C -5.778195 -0.357670 -0.179172
C -4.058439 0.138358 -1.898078
C 2.006246 2.224114 -1.201167
C 1.805615 -2.035587 1.434193
C 4.387038 -1.959260 0.167387
C 0.723226 2.680005 -0.873579
C -6.650005 0.884015 -0.376064
C -2.710554 0.825633 -2.111440
C 2.926514 2.990083 -2.085591
C 2.758120 -3.049229 1.588853
C 4.030141 -3.033496 0.976316
H -3.981952 -0.153946 2.142820
H -2.673739 -1.338379 2.235972
H -3.868732 -2.027044 0.286527
H -2.493702 -1.123914 -0.381222
H -2.073105 1.222711 2.544127
H -2.378434 1.395416 0.787599
H -0.434395 -0.726744 1.704125
H 4.365250 0.540548 -1.301965
H -6.144302 -1.187090 -0.822225
H -5.876959 -0.704426 0.873476
H -4.088731 -0.827800 -2.446172
H -4.863508 0.775735 -2.329935
H 0.840799 -2.080740 1.922822
H 5.361587 -1.924745 -0.313441
H 0.353703 3.635550 -1.270441
H -6.243509 1.737820 0.183980
H -6.696224 1.190104 -1.427351
H -7.672738 0.707315 -0.030124
H -2.619466 1.727534 -1.485146
H -1.865690 0.182851 -1.836998
H -2.579909 1.127591 -3.154157
H 2.475339 3.928928 -2.435607
H 3.853819 3.260744 -1.561576
H 3.195196 2.413795 -2.981724
H 4.709911 -3.864693 1.150697
H 1.630530 -4.137146 2.788500


%chk=000183279-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000183279

0 1
O 2.448679 -4.362090 2.016977
N -4.288681 -0.129479 -0.434773
N -0.785308 0.189656 1.263472
N 3.544940 0.410494 -0.690738
N -0.210544 2.108034 0.015747
C 1.438768 0.322304 0.221359
C -3.139546 -0.413327 1.785172
C -3.521918 -1.059917 0.432607
C 2.347745 1.118730 -0.547589
C -2.108599 0.723260 1.629239
C 2.120768 -0.925506 0.539311
C 0.145794 0.880121 0.500401
C 3.436216 -0.834138 -0.041269
C -5.735259 -0.095160 -0.091911
C -4.041987 -0.331790 -1.888260
C 2.003446 2.399179 -1.055668
C 1.765507 -2.111830 1.235060
C 4.381188 -1.872674 0.070754
C 0.693311 2.811859 -0.735178
C -6.418704 1.230244 -0.481595
C -2.649413 0.150014 -2.338171
C 2.958652 3.242152 -1.872799
C 2.718229 -3.149289 1.344176
C 4.014019 -3.037080 0.773782
H -4.044164 0.001893 2.270166
H -2.751136 -1.197016 2.472121
H -4.086080 -2.008672 0.617139
H -2.590080 -1.340176 -0.090377
H -2.043979 1.315470 2.567033
H -2.428265 1.408415 0.828137
H -0.457792 -0.630236 1.772901
H 4.364005 0.740961 -1.194847
H -6.283918 -0.955681 -0.555324
H -5.825157 -0.225256 1.003046
H -4.187112 -1.404077 -2.182098
H -4.806488 0.247284 -2.438067
H 0.767960 -2.251376 1.671216
H 5.378517 -1.790155 -0.374192
H 0.334928 3.784830 -1.095995
H -5.904088 2.077098 0.004908
H -6.395737 1.402367 -1.572780
H -7.479100 1.226939 -0.166140
H -2.504688 1.209632 -2.066026
H -1.833976 -0.425865 -1.864933
H -2.543065 0.041720 -3.434054
H 2.479644 4.189521 -2.174805
H 3.873433 3.503803 -1.303856
H 3.279863 2.726383 -2.800131
H 4.708455 -3.873677 0.890926
H 1.530517 -4.362495 2.384327


