%chk=000156901.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000156901

0 1
 S    3.535500     -0.2341000      0.3648000    
 O   -1.004800      -2.376400      7.7799998E-02
 O  -0.6668000       2.110200       1.222700    
 N  -0.9197000     -0.1158000      0.6595000    
 N    1.060200      -1.327000      0.2271000    
 N    1.236500      0.9491000      0.8077000    
 N    1.746200      -2.492100     -0.1178000    
 C   -3.064200      0.3715000     -0.5435000    
 C   -2.351300     -2.2700001E-02  0.7691000    
 C   -4.584500      0.4659000     -0.3307000    
 C   -2.538200       1.715500      -1.075200    
 C   -2.778800     -0.7173000      -1.594600    
 C  -0.3382000      -1.363100      0.3013000    
 C  -0.1349000       1.042300      0.9131000    
 C    1.786000     -0.1752000      0.4839000    
 C    3.771500       1.002800     -0.9235000    
 C    5.245600       1.166300      -1.241600    
 H   -2.743700     -0.9847000       1.123300    
 H   -2.602700      0.7081000       1.548300    
 H   -5.103200      0.7237000      -1.260800    
 H   -4.828500       1.233400      0.4120000    
 H   -4.992400     -0.4861000      2.6900001E-02
 H   -3.086700       2.011500      -1.977800    
 H   -2.678100       2.515500     -0.3408000    
 H   -1.481500       1.671100      -1.356300    
 H   -1.726900     -0.7495000      -1.894000    
 H   -3.086200      -1.708100      -1.243600    
 H   -3.348500     -0.5181000      -2.511000    
 H    2.309900      -2.277900     -0.9397000    
 H    2.401600      -2.690900      0.6373000    
 H    3.230400      0.6962000      -1.824600    
 H    3.365200       1.964600     -0.5943000    
 H    5.812100       1.500700     -0.3658000    
 H    5.685200      0.2311000      -1.605100    
 H    5.376200       1.919000      -2.026300    


%chk=000156901-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000156901

0 1
S 3.614889 -0.468165 -0.550386
O -0.957591 -2.378780 0.426731
O -0.466671 2.285866 0.712840
N -0.807169 -0.018498 0.403505
N 1.118721 -1.377141 0.031892
N 1.382426 0.993866 0.081595
N 1.746130 -2.637505 -0.122405
C -3.171155 0.310224 -0.582216
C -2.264580 0.135169 0.678896
C -4.621512 0.451265 -0.043254
C -2.789155 1.584785 -1.377837
C -3.085632 -0.927279 -1.512479
C -0.292705 -1.317747 0.301085
C 0.028484 1.172126 0.418325
C 1.880031 -0.211558 -0.108320
C 4.152458 1.364321 -0.608889
C 5.648818 1.414191 -0.941249
H -2.581035 -0.764459 1.235279
H -2.360408 1.024407 1.325293
H -5.328885 0.583067 -0.882401
H -4.720036 1.329191 0.622692
H -4.931314 -0.448388 0.521692
H -3.497213 1.730266 -2.215266
H -2.808234 2.483569 -0.737305
H -1.774074 1.505142 -1.808154
H -2.076337 -1.032606 -1.951893
H -3.315322 -1.860907 -0.969368
H -3.802449 -0.818122 -2.347784
H 1.305201 -3.171665 -0.883232
H 1.735124 -3.161623 0.763110
H 3.527826 1.859497 -1.367682
H 3.913360 1.799626 0.372924
H 6.256206 0.899467 -0.175742
H 5.867714 0.958694 -1.923418
H 5.976391 2.469203 -0.978777


