%chk=000297327.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297327

0 1
S 3.126049 0.692337 -0.742600
S 0.643447 2.083227 -1.634621
O 1.204589 -2.103191 1.101329
N 0.759347 -0.154395 -0.129802
N -2.849746 -0.293473 -0.418876
N -0.586928 -0.207424 0.209942
C 3.071165 -0.787675 0.298003
C 1.624471 -1.145064 0.518974
C 1.365065 0.875358 -0.828018
C -1.505001 -0.026333 -0.730680
C -3.841790 0.547211 -1.140058
C -3.200853 -0.552265 1.000646
H 3.581454 -0.606644 1.269007
H 3.615903 -1.628516 -0.182332
H -1.323952 0.243821 -1.789229
H -3.926203 1.568541 -0.732959
H -4.832975 0.064892 -1.075776
H -3.584746 0.620883 -2.210097
H -3.097692 0.335002 1.646178
H -2.526148 -1.333645 1.406609
H -4.231956 -0.931246 1.064260


%chk=000297327-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000297327

0 1
S 3.196960 0.799850 -0.612542
S 0.645940 2.531867 -0.753398
O 1.146123 -2.382719 0.632089
N 0.784761 -0.121776 0.036293
N -2.790969 0.024724 -0.242367
N -0.565254 -0.174940 0.489732
C 3.066253 -0.984727 -0.005916
C 1.593030 -1.274462 0.262869
C 1.392339 1.059699 -0.423135
C -1.450060 -0.002831 -0.493051
C -3.766203 0.211920 -1.323832
C -3.311824 -0.112131 1.128428
H 3.645303 -1.101486 0.923810
H 3.454240 -1.672651 -0.772424
H -1.164743 0.114388 -1.548320
H -4.367190 1.125762 -1.152700
H -4.455324 -0.652274 -1.385214
H -3.248211 0.314897 -2.291367
H -3.918854 0.772862 1.397312
H -2.460743 -0.197065 1.819817
H -3.942075 -1.017505 1.213816


