%chk=000245299.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245299

0 1
S -0.105797 1.469183 0.106441
N 3.616639 0.032721 -0.065158
N 1.005716 -0.852577 -0.661512
C 2.552254 0.848908 0.138011
C 1.237299 0.377980 -0.167186
C -1.588656 0.539656 -0.101255
C -1.904958 -0.055514 -1.323360
C -2.469901 0.501106 0.982733
C 2.803378 2.213189 0.673571
C -3.140497 -0.697940 -1.464081
C -3.705974 -0.134642 0.827697
C -4.039370 -0.733178 -0.392941
C 3.386397 -1.215842 -0.556774
C 2.084782 -1.659730 -0.857240
H -1.197393 -0.036277 -2.153732
H -2.205023 0.954873 1.938165
H 2.268126 2.380029 1.622247
H 3.875095 2.386441 0.870919
H 2.475631 2.991766 -0.033576
H -3.399491 -1.171402 -2.409590
H -4.406327 -0.168699 1.660371
H -5.001261 -1.231239 -0.507584
H 4.266417 -1.850315 -0.704749
H 1.883815 -2.658596 -1.255716


%chk=000245299-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245299

0 1
S -0.115350 1.660660 0.150743
N 3.614213 -0.016662 -0.030611
N 0.926785 -0.862419 -0.343132
C 2.589507 0.873612 0.110782
C 1.235214 0.419988 -0.051049
C -1.627950 0.633280 -0.113806
C -2.048628 0.321488 -1.425168
C -2.383273 0.224576 1.006713
C 2.928797 2.306371 0.434311
C -3.240248 -0.414252 -1.614752
C -3.578251 -0.506482 0.809660
C -4.006458 -0.827165 -0.499178
C 3.302303 -1.318146 -0.324378
C 1.965696 -1.739185 -0.480930
H -1.450809 0.645877 -2.282460
H -2.039088 0.469887 2.016386
H 2.474715 2.618432 1.394071
H 4.021993 2.414660 0.500310
H 2.541721 2.995491 -0.340309
H -3.568654 -0.661799 -2.630126
H -4.167542 -0.825131 1.676451
H -4.931666 -1.394648 -0.649558
H 4.141347 -2.012258 -0.431806
H 1.706524 -2.776272 -0.716462


