%chk=000290020.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290020

0 1
S 1.920433 1.106502 0.726807
S -0.955444 1.619765 0.899184
O -0.744284 2.643894 -0.137894
O -1.198460 2.100744 2.247945
N 0.380462 0.630420 0.847516
C -2.246818 0.573612 0.419978
C 2.109033 1.974969 -0.860153
C 2.781317 -0.412686 0.375882
C -2.715724 -0.411865 1.292708
C -2.824938 0.720074 -0.844692
C -4.343052 -1.110394 -0.366195
C -3.759987 -1.253829 0.903949
C -3.869832 -0.115936 -1.240032
C 3.467250 2.636528 -0.897348
C 2.123843 -1.546475 -0.097354
C 4.152304 -0.429326 0.646038
C -5.471920 -1.996667 -0.778595
C 2.856606 -2.719029 -0.321579
C 4.879015 -1.601321 0.416398
C 4.230927 -2.744424 -0.068432
H 1.952090 1.307857 -1.725841
H 1.281892 2.730517 -0.936118
H -2.269811 -0.524468 2.286153
H -2.460053 1.499319 -1.524685
H -4.123015 -2.016752 1.588496
H -4.319485 0.006226 -2.222435
H 3.635466 3.299332 -0.037253
H 4.289322 1.910382 -0.935932
H 3.562091 3.267482 -1.795037
H 1.043230 -1.527285 -0.278984
H 4.660341 0.452415 1.037730
H -5.507445 -2.154345 -1.864980
H -5.418841 -2.989194 -0.311000
H -6.436731 -1.553735 -0.485445
H 2.351508 -3.610614 -0.690117
H 5.948163 -1.627081 0.619858
H 4.800243 -3.656811 -0.244042


%chk=000290020-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000290020

0 1
S 1.956834 1.039844 0.708670
S -0.933685 1.321665 1.190434
O -0.809600 2.762293 0.395674
O -1.070353 1.363339 2.818632
N 0.352574 0.154629 0.533358
C -2.417753 0.373385 0.522964
C 2.083843 1.931235 -1.018885
C 3.065154 -0.437587 0.430040
C -3.113215 -0.466594 1.405916
C -2.801854 0.572484 -0.812149
C -4.676709 -0.985166 -0.430525
C -4.248482 -1.147828 0.913539
C -3.941063 -0.117698 -1.281718
C 3.424147 2.635939 -1.216627
C 2.497463 -1.645817 -0.015617
C 4.441182 -0.295856 0.700377
C -5.919666 -1.694486 -0.937715
C 3.354854 -2.751671 -0.215401
C 5.284876 -1.412751 0.493205
C 4.743183 -2.635407 0.033206
H 1.882782 1.127021 -1.744700
H 1.216365 2.610789 -0.950469
H -2.781071 -0.562373 2.444790
H -2.238915 1.259628 -1.451616
H -4.808902 -1.811970 1.581899
H -4.263923 0.019861 -2.320379
H 3.613969 3.384906 -0.427537
H 4.268716 1.925153 -1.249492
H 3.405098 3.172999 -2.183511
H 1.414108 -1.704443 -0.167609
H 4.849373 0.646886 1.080354
H -5.859046 -1.896220 -2.021443
H -6.080154 -2.655099 -0.417814
H -6.821829 -1.074978 -0.768743
H 2.935197 -3.703567 -0.557456
H 6.356431 -1.326098 0.701158
H 5.399768 -3.498645 -0.120312


