%chk=000093782.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093782

0 1
 S    2.144600     -0.6991000     -0.3711000    
 O  -0.6202000      -1.706500      3.5900000E-02
 O    1.787700      -2.091700     -0.1515000    
 O    2.795300     -0.3093000      -1.611700    
 O   -4.011600      0.5339000     -0.2169000    
 O   -3.188900      -1.281700      0.8755000    
 N    3.091300     -0.1575000      0.9422000    
 N    2.008300       2.326300     -0.4555000    
 C   0.6950000      0.2775000     -0.2090000    
 C  -0.5389000     -0.3456000     -2.1400001E-02
 C   0.7720000       1.669100     -0.2664000    
 C   -1.695600      0.4231000      0.1087000    
 C  -0.3847000       2.437700     -0.1362000    
 C   -1.618400       1.814700      5.1300000E-02
 C    2.588000     -0.2928000       2.316600    
 C   -2.995200     -0.2046000      0.3049000    
 C  -0.8288000      -2.393500      -1.195300    
 H  -0.3387000       3.523100     -0.1760000    
 H   -2.499400       2.441600      0.1623000    
 H    3.808700      0.5608000      0.7875000    
 H    2.854800       1.805900     -0.6338000    
 H    2.032800       3.336700     -0.5015000    
 H    3.435300     -0.4498000       2.989800    
 H    1.912400      -1.146000       2.415800    
 H    2.070900      0.6227000       2.614800    
 H  -0.1927000      -2.001700      -1.996000    
 H   -1.878200      -2.312600      -1.494800    
 H  -0.5948000      -3.451000      -1.044300    
 H   -4.882800      0.1043000     -7.9899997E-02


%chk=000093782-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000093782

0 1
S 2.425680 -0.091437 -0.186966
O -0.123516 -1.150545 0.602458
O 2.400509 -1.462064 -1.055791
O 3.558572 1.041648 -0.532994
O -4.044702 0.878049 0.270396
O -3.048784 -1.113276 0.903896
N 2.828122 -0.574447 1.535099
N 1.793798 2.906185 -1.224659
C 0.759579 0.850454 -0.320075
C -0.386302 0.103305 0.047502
C 0.694233 2.185076 -0.844761
C -1.684571 0.693596 -0.066323
C -0.625432 2.742263 -0.966760
C -1.753164 2.022261 -0.590884
C 2.464251 -1.941025 1.954533
C -2.915557 0.036357 0.408985
C -0.559937 -2.361183 -0.149007
H -0.726683 3.758396 -1.363489
H -2.742121 2.478538 -0.679054
H 2.545841 0.195465 2.161749
H 2.727096 2.465427 -1.120462
H 1.679755 3.839758 -1.612510
H 3.190015 -2.245452 2.730851
H 2.597647 -2.610241 1.087302
H 1.429821 -2.037200 2.331025
H -0.034920 -2.381929 -1.119045
H -1.655221 -2.371447 -0.247897
H -0.231554 -3.204321 0.475820
H -4.834254 0.381790 0.615060


