%chk=000180603.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180603

0 1
O 0.345106 -0.134625 0.047630
O -3.903741 1.707608 0.534233
O -5.953028 0.289094 0.016871
N 5.807171 -0.113614 -0.888913
N 5.787090 -1.149734 1.133792
N 6.917685 0.161324 -0.149880
N 6.886717 -0.471985 1.064062
C -1.780626 0.766217 0.280274
C -1.160131 2.063043 0.710594
C -1.000577 -0.349122 -0.060339
C -0.733461 2.906227 -0.502813
C -3.186104 0.624441 0.194729
C 2.623100 -0.604612 0.020622
C 1.260378 -1.237186 -0.252644
C -3.797760 -0.596372 -0.218680
C -1.577548 -1.575924 -0.474610
C 3.756730 -1.550868 -0.394329
C -2.954381 -1.677543 -0.547207
C -0.111338 4.232181 -0.073829
C -5.255380 -0.682412 -0.285159
C 5.075776 -0.945621 -0.088663
C -5.916121 -1.953888 -0.721254
H -1.879342 2.635745 1.334623
H -0.281652 1.859235 1.357682
H -0.014494 2.329787 -1.117428
H -1.612450 3.092899 -1.150568
H 2.699965 0.363141 -0.521793
H 2.707636 -0.340233 1.096605
H 1.123119 -1.527801 -1.307900
H 1.034625 -2.080536 0.421400
H -0.956045 -2.424552 -0.733024
H 3.693196 -1.782064 -1.481836
H 3.664708 -2.524867 0.139986
H -3.399863 -2.622450 -0.867830
H -0.817014 4.837971 0.506775
H 0.778188 4.079553 0.547284
H 0.191270 4.826064 -0.943224
H -4.940592 1.548437 0.459850
H -5.674683 -2.792169 -0.054089
H -5.626670 -2.238737 -1.741567
H -7.013583 -1.843883 -0.716195
H 7.664224 0.767130 -0.483637


%chk=000180603-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180603

0 1
O 0.398213 -0.010826 0.040566
O -4.030943 1.697568 0.537063
O -6.009185 0.233229 0.018888
N 6.190051 -0.934025 -0.997262
N 5.644707 -0.762373 1.229758
N 7.225600 -0.474763 -0.225549
N 6.934404 -0.356401 1.127046
C -1.810648 0.832134 0.294687
C -1.243937 2.166387 0.734289
C -0.976095 -0.257991 -0.060502
C -0.997812 3.132034 -0.460864
C -3.214618 0.642052 0.200233
C 2.744500 -0.540607 -0.031190
C 1.340621 -1.100724 -0.270241
C -3.784455 -0.617891 -0.231969
C -1.507433 -1.512874 -0.490650
C 3.829357 -1.600477 -0.359789
C -2.893567 -1.675690 -0.570257
C -0.430869 4.489869 0.003671
C -5.239739 -0.760336 -0.302550
C 5.210267 -1.107061 -0.055763
C -5.886137 -2.060429 -0.746167
H -1.955809 2.645165 1.430349
H -0.288126 2.007402 1.265138
H -0.297069 2.654797 -1.173348
H -1.953203 3.287015 -0.997479
H 2.888737 0.356625 -0.660152
H 2.841074 -0.224143 1.022244
H 1.210122 -1.417040 -1.326165
H 1.140112 -1.968829 0.391508
H -0.847641 -2.341621 -0.758416
H 3.788170 -1.881451 -1.427371
H 3.638427 -2.515473 0.234182
H -3.299882 -2.636699 -0.901784
H -1.132085 4.994748 0.694432
H 0.530087 4.357636 0.536340
H -0.254103 5.166225 -0.852909
H -5.011566 1.366035 0.415261
H -5.604950 -2.894680 -0.077670
H -5.573582 -2.334091 -1.770532
H -6.979217 -1.936713 -0.725081
H 8.138321 -0.236416 -0.612391


