%chk=000206555.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206555

0 1
O -3.067356 -0.140105 -0.551289
N 3.874758 -1.668416 -0.140855
C 1.742166 -0.404936 -0.173321
C 1.747793 -1.392179 -1.379176
C 2.878613 -0.971329 0.733844
C 2.090187 1.024498 -0.659356
C 3.077971 -2.171927 -1.310751
C 0.381040 -0.367967 0.506241
C 2.138961 2.061206 0.470209
C 4.974845 -0.754158 -0.568053
C -0.771528 -0.275937 -0.278789
C 0.256093 -0.382904 1.909315
C 2.575909 3.431291 -0.042538
C -2.031452 -0.222322 0.348800
C -1.002007 -0.329157 2.508918
C -2.169074 -0.250495 1.742043
C -4.432675 -0.077902 -0.031136
C -5.273980 0.002671 -1.304609
C -6.759188 0.076241 -0.973934
H 1.638851 -0.864000 -2.338355
H 0.895176 -2.091527 -1.316673
H 3.348185 -0.188435 1.355943
H 2.479110 -1.746165 1.424613
H 1.351590 1.344144 -1.419598
H 3.071935 0.993754 -1.179723
H 2.891321 -3.250576 -1.118775
H 3.640077 -2.109901 -2.259310
H 2.830171 1.719925 1.267029
H 1.142109 2.141245 0.950137
H 5.661188 -1.301737 -1.231817
H 5.552598 -0.457002 0.321404
H 4.636304 0.160828 -1.084614
H -0.726083 -0.238919 -1.364305
H 1.139664 -0.433545 2.539611
H 3.578062 3.399622 -0.483820
H 1.891105 3.811566 -0.809383
H 2.597525 4.167436 0.769030
H -1.081148 -0.347280 3.596448
H -3.136699 -0.212058 2.225288
H -4.527836 0.819086 0.602458
H -4.628610 -0.991097 0.554401
H -4.960109 0.884154 -1.900842
H -5.057744 -0.875359 -1.947565
H -7.000938 0.960318 -0.372058
H -7.361065 0.133819 -1.889645
H -7.098815 -0.806366 -0.418942


%chk=000206555-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000206555

0 1
O -3.147555 -0.257257 -0.645996
N 3.516031 -1.876531 -0.273174
C 1.770945 -0.152254 -0.292064
C 1.784547 -1.026977 -1.600147
C 2.935525 -0.786659 0.557627
C 2.128427 1.327347 -0.692355
C 3.227618 -1.552141 -1.685666
C 0.399949 -0.158943 0.407432
C 2.251658 2.351115 0.458555
C 4.907183 -2.218198 0.041216
C -0.782586 -0.225401 -0.364614
C 0.270507 -0.019519 1.818264
C 2.660877 3.749175 -0.055423
C -2.060610 -0.173349 0.242226
C -1.003022 0.030509 2.420698
C -2.183761 -0.046657 1.647323
C -4.505834 -0.224810 -0.075912
C -5.488309 -0.351920 -1.242803
C -6.954566 -0.329501 -0.758253
H 1.489721 -0.446960 -2.493265
H 1.096000 -1.882707 -1.490177
H 3.701629 -0.006239 0.790636
H 2.586238 -1.206095 1.518160
H 1.350783 1.687092 -1.397308
H 3.084826 1.306569 -1.256267
H 3.320419 -2.452964 -2.319833
H 3.916105 -0.770226 -2.102122
H 2.999473 2.001626 1.199093
H 1.287636 2.421236 0.996383
H 5.234444 -3.070502 -0.581528
H 4.990627 -2.522741 1.100420
H 5.621563 -1.370285 -0.128102
H -0.743728 -0.325598 -1.453756
H 1.162041 0.054120 2.449192
H 3.645970 3.718611 -0.558911
H 1.923883 4.133860 -0.785728
H 2.726874 4.478768 0.772651
H -1.083455 0.133319 3.509057
H -3.161224 -0.007285 2.136219
H -4.660649 0.730288 0.469880
H -4.631322 -1.064467 0.640479
H -5.306464 0.475522 -1.953759
H -5.277613 -1.292662 -1.784692
H -7.191832 0.615142 -0.233483
H -7.649843 -0.422929 -1.611059
H -7.162125 -1.164420 -0.062615


