%chk=000137360.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000137360

0 1
 S    4.093400     -0.7922000       1.257700    
 O   -5.984400      -2.230500      -1.697200    
 O   -2.212000       1.587600      0.4375000    
 O    5.346900     -0.1629000      -2.337700    
 O    6.489600      -1.683700       1.870600    
 N    6.103300     -0.9732000     -0.3081000    
 C   -4.349300      0.5236000      0.3519000    
 C   -5.365900     -0.1907000     -0.5655000    
 C   -3.999900     -0.3840000       1.554000    
 C   -4.931300      -1.600700     -0.9727000    
 C   -3.572200      -1.794800       1.148300    
 C   -4.606500      -2.457500      0.2471000    
 C   -3.077200      0.8936000     -0.4349000    
 C   -4.978100       1.828200      0.8761000    
 C  -0.8618000       1.481800      0.1990000    
 C  -0.4105000       1.293800      -1.099900    
 C   2.8600000E-02   1.565100       1.260400    
 C    1.863100       1.268900     -0.2836000    
 C    3.327100       1.154600     -0.5429000    
 C   0.9589000       1.186700      -1.342400    
 C    1.398000       1.458100       1.017700    
 C    3.819400     -0.2886000     -0.4685000    
 C    5.152600     -0.4540000      -1.162300    
 C    5.768100      -1.229100      0.9955000    
 H   -5.557100      0.4041000      -1.468500    
 H   -6.339400     -0.2598000     -5.9700001E-02
 H   -4.883300     -0.4735000       2.201400    
 H   -3.218100      6.5200001E-02   2.178000    
 H   -4.064700      -1.549100      -1.640500    
 H   -3.431700      -2.403900       2.048800    
 H   -2.601800      -1.764200      0.6401000    
 H   -4.245200      -3.441900     -7.4400000E-02
 H   -5.524800      -2.652800      0.8166000    
 H   -3.331300       1.545300      -1.280400    
 H   -2.611900     -1.6799999E-02 -0.8293000    
 H   -5.922000       1.627700       1.396300    
 H   -4.323700       2.344100       1.587300    
 H   -5.196600       2.520500      5.5000000E-02
 H   -5.675100      -3.115600      -1.955500    
 H   -1.079200       1.253200      -1.954100    
 H  -0.3308000       1.714900       2.274300    
 H    3.529600       1.565700      -1.541800    
 H    3.891000       1.811800      0.1337000    
 H    3.118000     -0.9912000     -0.9327000    
 H    1.308800       1.043200      -2.361300    
 H    2.088000       1.538400       1.853000    
 H    7.045500      -1.152100     -0.6401000    


%chk=000137360-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000137360

0 1
S 4.478046 -0.604246 1.228059
O -6.618420 -1.635744 -1.908865
O -1.994909 0.824246 0.712376
O 6.011212 0.336780 -2.348658
O 7.107329 -0.935220 2.037195
N 6.716083 -0.302272 -0.202342
C -4.396738 0.417363 0.447305
C -5.491538 0.020863 -0.591272
C -4.409538 -0.591517 1.636032
C -5.453071 -1.455980 -1.018094
C -4.365808 -2.073454 1.195003
C -5.511194 -2.393731 0.203361
C -3.022418 0.416009 -0.263933
C -4.690603 1.846768 0.968713
C -0.669095 0.915259 0.271876
C -0.236844 0.625386 -1.047540
C 0.271347 1.337024 1.245425
C 2.085796 1.169890 -0.411541
C 3.558797 1.273047 -0.772912
C 1.132154 0.754966 -1.371820
C 1.629332 1.462432 0.902126
C 4.322953 -0.069049 -0.596399
C 5.746964 0.011467 -1.165822
C 6.329566 -0.648294 1.110838
H -5.425802 0.662402 -1.491886
H -6.487232 0.205040 -0.142036
H -5.339136 -0.420037 2.216414
H -3.560658 -0.365537 2.306970
H -4.521668 -1.671005 -1.590332
H -4.444950 -2.728000 2.083476
H -3.387668 -2.306567 0.726982
H -5.454776 -3.452723 -0.122794
H -6.491318 -2.252906 0.701928
H -3.034139 1.137066 -1.108292
H -2.764881 -0.587811 -0.657454
H -5.676726 1.879912 1.467437
H -3.921245 2.168114 1.691338
H -4.707080 2.578345 0.138101
H -6.677293 -2.591045 -2.167507
H -0.945076 0.311872 -1.819673
H -0.084611 1.564626 2.254756
H 3.678524 1.553619 -1.837174
H 4.061962 2.049051 -0.167609
H 3.781456 -0.874729 -1.121434
H 1.457327 0.538895 -2.397592
H 2.347083 1.791898 1.662464
H 7.712604 -0.279174 -0.438898


