%chk=000267913.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267913

0 1
S -0.430420 1.607932 0.000515
O 2.420222 2.407166 0.000429
O 4.161839 -1.858432 -0.000405
N 3.341258 0.314744 -0.000064
N 1.867340 -1.579804 -0.000197
N 0.764698 -0.794952 0.000045
C -1.862548 0.582369 0.000223
C 0.920931 0.501049 0.000235
C 2.226413 1.219546 0.000148
C -2.439309 0.219730 1.219438
C -2.439451 0.220664 -1.219202
C -3.630935 -0.513353 1.213941
C -3.631079 -0.512418 -1.214128
C 3.218932 -1.100103 -0.000274
C -4.224370 -0.877069 -0.000199
H -1.972697 0.500653 2.164731
H -1.972951 0.502314 -2.164335
H 4.295043 0.705194 -0.000060
H -4.095149 -0.801935 2.155866
H -4.095403 -0.800277 -2.156220
H -5.152754 -1.448147 -0.000364
H 1.692488 -2.595272 -0.000325


%chk=000267913-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000267913

0 1
S -0.434857 1.809529 0.000393
O 2.533430 2.450610 0.000547
O 4.120538 -1.976604 -0.000376
N 3.323622 0.245771 0.000083
N 1.813622 -1.537088 -0.000295
N 0.709372 -0.702716 -0.000111
C -1.889348 0.662470 0.000157
C 0.932835 0.600951 0.000173
C 2.292415 1.215804 0.000309
C -2.456627 0.259707 1.228910
C -2.456922 0.260615 -1.228756
C -3.606510 -0.563151 1.225059
C -3.606810 -0.562240 -1.225236
C 3.167480 -1.158030 -0.000240
C -4.181339 -0.974935 -0.000172
H -2.006153 0.585209 2.172156
H -2.006672 0.586807 -2.171871
H 4.288203 0.595791 0.000161
H -4.050387 -0.877631 2.175815
H -4.050918 -0.876016 -2.176117
H -5.074267 -1.609957 -0.000299
H 1.601392 -2.535296 -0.000495


