%chk=000232993.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000232993

0 1
S 2.383089 0.127199 -0.196698
O 2.808374 -0.840536 -1.182903
O 2.849460 1.496423 -0.227873
O -4.162367 1.227343 0.306885
O -4.201590 -0.841688 -0.327891
N 2.776593 -0.476962 1.364823
N -3.622142 0.188171 -0.029795
C 0.635062 0.145338 -0.155693
C -0.030836 1.316119 0.213608
C -0.074973 -1.007011 -0.498578
C -2.131732 0.174811 -0.078620
C -1.428535 1.338856 0.256229
C -1.473303 -1.000660 -0.460613
C 3.555450 -1.737198 1.415351
H 0.535482 2.224064 0.459378
H 0.454445 -1.915744 -0.809458
H 3.134581 0.207315 2.046091
H -1.970695 2.246839 0.543593
H -2.050033 -1.894159 -0.724976
H 3.395100 -2.219598 2.396267
H 4.640098 -1.592517 1.274610
H 3.214272 -2.446306 0.637864


%chk=000232993-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000232993

0 1
S 2.421355 0.081943 -0.189878
O 2.838800 -1.062917 -1.275205
O 2.926427 1.633778 -0.265145
O -4.264344 1.332197 0.303345
O -4.333496 -0.824191 -0.439873
N 2.843204 -0.573092 1.514413
N -3.699152 0.238348 -0.078538
C 0.533471 0.121011 -0.138970
C -0.087006 1.314593 0.265607
C -0.163816 -1.029944 -0.541686
C -2.209018 0.198561 -0.102240
C -1.496182 1.353878 0.285262
C -1.572590 -0.989891 -0.522603
C 3.739814 -1.759746 1.493730
H 0.515261 2.189339 0.529962
H 0.379686 -1.916584 -0.881666
H 3.250329 0.249422 1.999856
H -2.043180 2.249989 0.588749
H -2.176971 -1.848889 -0.824504
H 3.672645 -2.221621 2.494757
H 4.796524 -1.534068 1.255334
H 3.364038 -2.482017 0.750892


