%chk=000290754.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290754

0 1
S 2.525195 -1.349143 0.864759
S -2.144057 0.623361 -0.903973
O 1.124677 1.468672 0.933995
O 1.660450 0.842543 -1.155185
O -5.427087 2.759316 -0.560465
O -3.365452 2.230920 -1.019938
N -0.947163 -0.661917 -0.895665
N -4.522111 1.952268 -0.596813
C 0.054075 -0.517037 0.171024
C 0.857557 -1.816951 0.318194
C 3.526789 -1.487382 -0.656407
C 4.761262 -0.703650 -0.353600
C 1.051242 0.618570 -0.132713
C -3.543291 -0.230292 -0.256693
C 5.861639 -1.317446 0.264853
C 4.821077 0.659149 -0.690414
C -4.685532 0.584824 -0.155356
C -3.607076 -1.571520 0.141284
C 7.012216 -0.572689 0.539151
C 5.974333 1.395877 -0.414930
C -5.903996 0.077946 0.347061
C 7.071716 0.782263 0.199419
C -4.806877 -2.070484 0.635115
C -5.953157 -1.249689 0.739995
H -0.463965 -0.278222 1.144962
H 0.406040 -2.475198 1.085284
H 0.880401 -2.410055 -0.614139
H 3.737064 -2.547204 -0.885529
H 2.974375 -1.062092 -1.523194
H -0.521576 -0.788090 -1.821681
H 5.820455 -2.370681 0.535969
H 3.959656 1.137500 -1.166145
H -2.721684 -2.208291 0.054115
H 7.864004 -1.050740 1.019844
H 6.019572 2.450904 -0.680049
H -6.774676 0.735482 0.415091
H 7.969265 1.358866 0.412689
H -4.873225 -3.114748 0.948984
H -6.878504 -1.671422 1.132411
H 1.778370 2.207382 0.800892


%chk=000290754-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000290754

0 1
S 2.363452 -1.132702 0.772552
S -2.546702 1.046898 -0.995777
O 0.789850 2.316288 -0.341129
O 1.648529 0.922523 -1.991419
O -6.616391 2.237810 0.316628
O -4.565113 2.571178 -0.632886
N -1.202532 -0.174013 -1.169094
N -5.453762 1.814862 -0.046375
C 0.021191 0.015545 -0.346470
C 0.770652 -1.326545 -0.242272
C 3.669047 -1.292871 -0.637699
C 5.009639 -0.807197 -0.146264
C 0.932687 1.085951 -0.972559
C -3.795840 -0.056407 -0.191495
C 5.899862 -1.683976 0.526641
C 5.399091 0.543133 -0.346442
C -5.079533 0.420906 0.196081
C -3.496167 -1.416061 0.062382
C 7.152785 -1.222689 0.988384
C 6.652271 1.005641 0.111261
C -6.034399 -0.421354 0.819725
C 7.532657 0.123895 0.781614
C -4.439867 -2.258781 0.679182
C -5.713951 -1.765098 1.063368
H -0.287914 0.362421 0.652303
H 0.134915 -2.073158 0.257779
H 1.053599 -1.696776 -1.242543
H 3.691922 -2.357179 -0.923462
H 3.286446 -0.679406 -1.469220
H -1.005426 -0.362982 -2.162304
H 5.607556 -2.728745 0.688390
H 4.716063 1.224448 -0.868078
H -2.510515 -1.779385 -0.246978
H 7.831440 -1.910390 1.505323
H 6.943915 2.048795 -0.055030
H -7.001786 0.008689 1.093378
H 8.505309 0.482123 1.137155
H -4.182377 -3.307684 0.862164
H -6.442628 -2.424967 1.543789
H 1.334026 3.008162 -0.808400


