%chk=000088187.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088187

0 1
 S    2.844900     -0.2984000     -0.2362000    
 O    3.498700      0.2076000       1.172700    
 O    3.196200      -1.700800     -0.3914000    
 O    3.177000      0.6719000      -1.265800    
 N   -3.863100     -5.0099999E-02 -0.6660000    
 N    1.173900       2.239100      1.3900000E-02
 C   -1.648500     -0.1209000      0.3929000    
 C    1.113000     -0.2040000      6.3999998E-03
 C   -3.124900     -7.6700002E-02  0.5980000    
 C   0.4595000       1.024200      0.1061000    
 C  -0.9214000       1.065700      0.2995000    
 C  -0.9950000      -1.349100      0.2932000    
 C   0.3859000      -1.390600      9.9900000E-02
 C   -5.296300     -1.8100001E-02 -0.4233000    
 H   -3.429000     -0.9498000       1.190500    
 H   -3.379800      0.8027000       1.204500    
 H   -1.432200       2.023200      0.3753000    
 H   -1.550200      -2.280800      0.3628000    
 H   0.8628000      -2.363500      2.8600000E-02
 H   -3.597900      0.7804000      -1.195600    
 H   0.6783000       3.117700      9.2100002E-02
 H    2.176500       2.246600     -0.1090000    
 H   -5.627500     -0.9087000      0.1207000    
 H   -5.827700     -2.4000001E-03  -1.379900    
 H   -5.590600      0.8747000      0.1383000    
 H    3.278800     -0.3407000       1.962200    


%chk=000088187-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000088187

0 1
S 2.865530 -0.401628 -0.165857
O 3.203140 -0.716453 1.641634
O 3.173598 -1.769052 -0.971233
O 3.669913 0.960626 -0.570835
N -3.987415 -0.475053 -0.456543
N 1.374347 2.359551 0.263594
C -1.711026 0.244612 0.236524
C 1.051876 -0.077520 -0.029159
C -3.214029 0.418799 0.423752
C 0.562317 1.247369 0.192069
C -0.860248 1.359751 0.317457
C -1.171071 -1.052123 -0.000829
C 0.216486 -1.210312 -0.125710
C -5.438368 -0.493436 -0.202767
H -3.476359 0.151790 1.469335
H -3.479795 1.500238 0.307885
H -1.285438 2.358844 0.477842
H -1.853848 -1.901251 -0.084731
H 0.664491 -2.192889 -0.307220
H -3.757109 -0.333167 -1.447791
H 0.965023 3.274307 0.432256
H 2.376582 2.274671 0.055138
H -5.630401 -0.879933 0.815741
H -5.929229 -1.177725 -0.916498
H -5.935761 0.504174 -0.282262
H 4.168195 -0.974988 1.718606


