%chk=000070222.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000070222

0 1
 S    1.718000      0.8091000      -1.227400    
 S   -1.933300      4.2500000E-02   1.078900    
 S   -5.338000     -0.7517000       1.373600    
 P   -3.860800     -0.1811000      0.2150000    
 O    3.626500     -0.3958000       1.706200    
 O   -3.694900      -1.152100      -1.090200    
 O   -4.196900       1.208600     -0.5786000    
 N    3.559100      -1.475600     -0.3345000    
 C    3.279100      0.9666000     -0.2739000    
 C    3.181100       2.157500      0.6854000    
 C    4.416000       1.209600      -1.275900    
 C    3.505300     -0.3546000      0.4813000    
 C   0.6117000      0.5117000      0.1670000    
 C  -0.8171000      0.3335000     -0.3262000    
 C    3.764300      -2.808200      0.1840000    
 C   -3.385700      -2.526300     -0.9269000    
 C   -4.434500       2.406400      0.1422000    
 H    2.522000       1.975000       1.539500    
 H    2.851700       3.071000      0.1771000    
 H    4.166100       2.371300       1.119800    
 H    5.383200       1.231000     -0.7590000    
 H    4.300200       2.170000      -1.792300    
 H    4.487400      0.4268000      -2.039700    
 H   0.9222000     -0.3859000      0.7101000    
 H   0.6345000       1.367100      0.8468000    
 H  -0.8932000     -0.5227000      -1.004500    
 H   -1.167400       1.225400     -0.8565000    
 H    3.383400      -1.376400      -1.329500    
 H    4.188100      -3.428400     -0.6091000    
 H    4.440200      -2.782300       1.042600    
 H    2.796100      -3.210900      0.4919000    
 H   -2.952600      -2.898000      -1.858800    
 H   -2.665000      -2.674800     -0.1193000    
 H   -4.300200      -3.085900     -0.7155000    
 H   -5.461300       2.414300      0.5158000    
 H   -3.735300       2.508300      0.9755000    
 H   -4.300100       3.252400     -0.5364000    


%chk=000070222-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000070222

0 1
S 1.556626 -0.089763 -1.526752
S -1.926824 -1.786037 0.900547
S -5.282438 -0.392850 1.350261
P -3.528464 -0.260301 0.273619
O 4.267746 0.829545 1.402459
O -3.576963 -0.427900 -1.455975
O -2.698718 1.265993 0.214324
N 3.632722 -1.178475 0.400428
C 2.900837 0.979825 -0.629347
C 2.267837 2.262414 -0.057263
C 3.932646 1.318133 -1.737293
C 3.640391 0.195882 0.496028
C 0.266740 -0.277372 -0.133359
C -0.636905 -1.462003 -0.474077
C 4.376669 -2.035679 1.328410
C -4.479733 -1.465741 -2.004938
C -2.749090 2.118106 1.424538
H 1.504849 2.039483 0.708126
H 1.801425 2.849286 -0.867021
H 3.054629 2.863385 0.430257
H 4.756903 1.902855 -1.290848
H 3.460325 1.921529 -2.532073
H 4.360102 0.406680 -2.191761
H 0.814641 -0.447857 0.808645
H -0.321340 0.650567 -0.075155
H -0.079017 -2.412316 -0.542381
H -1.196768 -1.301207 -1.410238
H 3.075834 -1.582857 -0.362478
H 5.136852 -2.636178 0.795100
H 4.883676 -1.380059 2.055025
H 3.700528 -2.720042 1.873410
H -4.384815 -1.357046 -3.095136
H -4.160223 -2.476632 -1.690377
H -5.521687 -1.283176 -1.687217
H -3.794343 2.307734 1.726438
H -2.192128 1.654791 2.259600
H -2.262622 3.054682 1.114976


