%chk=000239134.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239134

0 1
O -0.896013 -0.770486 1.624519
O -1.804742 -2.542680 2.657126
O 0.189669 2.167597 1.390532
O -3.721309 4.399916 -0.321765
N 5.129311 0.117952 -0.321494
C -0.581428 -0.296889 0.236983
C -1.050254 -1.469081 -0.628755
C 0.916251 -0.134353 0.133446
C -1.376807 0.968703 0.071241
C -1.580720 -2.481767 0.201132
C -1.489247 -2.036298 1.616086
C -0.993903 -1.641177 -2.002056
C 1.473761 0.488262 -0.993177
C 1.766637 -0.610256 1.141015
C -0.978461 2.178172 0.689671
C -2.589752 0.978412 -0.640544
C -2.065982 -3.669788 -0.322548
C 3.717740 0.121768 -0.119862
C -1.484494 -2.846139 -2.539599
C 2.852634 0.618307 -1.124987
C 3.148096 -0.486307 1.023102
C -2.014274 -3.842767 -1.717227
C -1.728875 3.363231 0.584906
C -3.360075 2.128240 -0.774845
C -2.915614 3.308549 -0.152885
C 5.672397 1.158533 -1.238207
C 5.975994 -0.032738 0.894192
H -0.575314 -0.874816 -2.651240
H 0.821410 0.883523 -1.772232
H 1.334688 -1.072074 2.034144
H -2.947156 0.055005 -1.107597
H -2.472130 -4.444722 0.328332
H 3.258089 1.093983 -2.014297
H 3.780434 -0.873563 1.818311
H -1.445401 -3.000870 -3.618714
H -2.388041 -4.767270 -2.156122
H -1.401709 4.274123 1.065965
H -4.293159 2.130808 -1.332076
H 0.378978 3.037515 1.828752
H 6.746537 0.975448 -1.404978
H 5.545841 2.186966 -0.866156
H 5.178079 1.078055 -2.222662
H 5.888842 0.804853 1.603486
H 7.032458 -0.131829 0.596073
H 5.703874 -0.966430 1.418489
H -3.379161 5.202179 0.147421


%chk=000239134-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000239134

0 1
O -0.943995 -0.692652 1.750477
O -2.000517 -2.511552 2.766847
O -0.152061 2.176312 1.770510
O -3.817584 4.482904 -0.559730
N 5.156727 0.350168 -0.262413
C -0.593932 -0.240126 0.329687
C -1.021478 -1.453178 -0.510026
C 0.923371 -0.037840 0.230763
C -1.415267 1.023635 0.063736
C -1.600307 -2.432395 0.321086
C -1.581629 -1.962338 1.730359
C -0.869863 -1.693638 -1.888494
C 1.465977 0.765428 -0.799902
C 1.820132 -0.713132 1.089441
C -1.179942 2.205496 0.825304
C -2.474983 1.059655 -0.874823
C -2.062847 -3.664913 -0.182658
C 3.770669 0.221455 -0.104918
C -1.331798 -2.926251 -2.409113
C 2.856267 0.899930 -0.971367
C 3.212120 -0.588349 0.934838
C -1.928150 -3.903612 -1.567930
C -1.962214 3.368284 0.633652
C -3.266105 2.205396 -1.084648
C -3.004273 3.363047 -0.322058
C 5.697731 1.191310 -1.334622
C 6.066517 -0.357057 0.645251
H -0.392098 -0.956266 -2.541810
H 0.794381 1.316403 -1.470161
H 1.423872 -1.318666 1.910382
H -2.694504 0.161925 -1.459863
H -2.503666 -4.404886 0.493243
H 3.227744 1.539179 -1.777364
H 3.866169 -1.120114 1.631644
H -1.222550 -3.133197 -3.479623
H -2.274745 -4.849237 -1.998437
H -1.760347 4.268596 1.231755
H -4.080160 2.216045 -1.813504
H -0.110545 3.019728 2.286134
H 6.798558 1.169347 -1.298970
H 5.375808 2.248777 -1.233754
H 5.383708 0.836938 -2.338559
H 5.918869 -0.049579 1.701166
H 7.108894 -0.129915 0.370579
H 5.932520 -1.457299 0.591515
H -3.576776 5.234033 0.037277


