%chk=000133818.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000133818

0 1
 S   -4.205500     -0.5922000     -0.2246000    
 O   -5.131700      -1.260600      0.6700000    
 O   -4.675600      0.4516000      -1.115700    
 N   0.9110000       1.778000      8.6499996E-02
 N   -2.860500     -1.3800000E-02  0.6761000    
 C   0.7911000      0.3919000     -0.4363000    
 C   -1.719800      0.5662000     -7.2099999E-02
 C  -0.4587000     -0.2547000      0.2048000    
 C   -1.525300       2.020400      0.3384000    
 C  -0.2530000       2.595100     -0.2794000    
 C    2.151000       2.405600     -0.3773000    
 C    2.058400     -0.4347000     -0.2161000    
 C    3.338500       1.696200      0.2690000    
 C    3.276600      0.2022000      9.3800001E-02
 C    2.064000      -1.827000     -0.4048000    
 C   -2.417300     -0.8108000       1.848100    
 C    4.442500     -0.5564000      0.2796000    
 C    3.231700      -2.572900     -0.2307000    
 C    4.418700      -1.939200      0.1194000    
 C   -3.436200      -1.844800      -1.228900    
 H   0.6446000      0.4330000      -1.526100    
 H   -1.919800      0.5501000      -1.149600    
 H  -0.6085000      -1.266000     -0.1891000    
 H  -0.2109000     -0.3484000       1.267900    
 H   -1.469900       2.104600       1.432100    
 H   -2.391000       2.617700      2.7200000E-02
 H  -0.3592000       2.663500      -1.369800    
 H  -0.1283000       3.616800      9.9600002E-02
 H    2.187900       3.461300     -8.1200004E-02
 H    2.224800       2.372000      -1.472400    
 H    3.364600       1.916500       1.343800    
 H    4.263000       2.085600     -0.1740000    
 H    1.162900      -2.355900     -0.7014000    
 H   -1.941000      -1.754800       1.572800    
 H   -3.296700      -1.065200       2.451200    
 H   -1.794600     -0.2157000       2.523300    
 H    5.377600     -6.8200000E-02  0.5429000    
 H    3.212700      -3.649500     -0.3736000    
 H    5.326200      -2.519200      0.2577000    
 H   -2.951300      -2.577300     -0.5818000    
 H   -4.225500      -2.336800      -1.802900    
 H   -2.723700      -1.391000      -1.917500    


%chk=000133818-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000133818

0 1
S -3.994791 -0.854420 -0.564006
O -5.416221 -1.019545 0.206988
O -3.857256 -0.136446 -2.017768
N 0.990935 1.834713 0.145560
N -2.910999 0.105298 0.571918
C 0.822744 0.504843 -0.493756
C -1.680928 0.671443 -0.031879
C -0.406555 -0.191668 0.156793
C -1.450978 2.101003 0.514542
C -0.177643 2.704903 -0.111710
C 2.294187 2.467644 -0.151439
C 2.093573 -0.349684 -0.408757
C 3.407588 1.637956 0.508916
C 3.319985 0.181878 0.077011
C 2.062487 -1.691961 -0.867008
C -2.961300 -0.338829 1.973817
C 4.467562 -0.649611 0.124022
C 3.208186 -2.512236 -0.817882
C 4.420521 -1.990371 -0.309572
C -3.314122 -2.650364 -0.784141
H 0.584418 0.637051 -1.587386
H -1.896332 0.761585 -1.117177
H -0.556556 -1.187581 -0.301249
H -0.184637 -0.336933 1.230347
H -1.322603 2.073128 1.612679
H -2.332101 2.724676 0.281014
H -0.343815 2.859189 -1.210281
H 0.019721 3.696985 0.334075
H 2.282417 3.491796 0.264258
H 2.484255 2.554824 -1.251357
H 3.293490 1.714225 1.607855
H 4.401622 2.050299 0.250115
H 1.133036 -2.102688 -1.279657
H -2.260491 -1.165036 2.220761
H -3.994944 -0.647186 2.207369
H -2.721059 0.524951 2.618703
H 5.410389 -0.230302 0.497413
H 3.159350 -3.545770 -1.178242
H 5.318535 -2.616648 -0.267068
H -3.248762 -3.090898 0.220321
H -4.058906 -3.158964 -1.412214
H -2.340198 -2.558048 -1.283027


