%chk=000127073.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127073

0 1
 S    5.033100     -0.2318000     -2.1400001E-02
 O    3.426900     -0.5305000     -7.6499999E-02
 O    5.676000      -1.729900     -1.7600000E-02
 O    5.342300      0.3802000       1.257600    
 O    5.425100      0.4104000      -1.262300    
 N    2.687600      0.6216000      5.4699998E-02
 C   -1.762200      -1.724400      2.7400000E-02
 C  -0.7966000     -0.5576000      2.5900001E-02
 C   -1.501000      0.6672000      5.4000001E-03
 C   -3.101000      -1.017200      4.9999999E-03
 C   -2.920100      0.3841000     -7.6000001E-03
 C   0.5866000     -0.5960000      4.2100001E-02
 C  -0.8177000       1.871700      1.1000000E-03
 C   -4.363800      -1.583400     -2.6000000E-03
 C   -4.013100       1.234400     -2.8000001E-02
 C    1.275000      0.6184000      3.7900001E-02
 C   0.5801000       1.839900      1.7899999E-02
 C   -5.465300     -0.7260000     -2.3200000E-02
 C   -5.291800      0.6688000     -3.5799999E-02
 H   -1.652100      -2.317100      0.9401000    
 H   -1.632000      -2.336200     -0.8700000    
 H    1.101400      -1.550900      5.9799999E-02
 H   -1.340300       2.822300     -1.4300000E-02
 H   -4.499200      -2.659100      7.1999999E-03
 H   -3.895200       2.312800     -3.7700001E-02
 H    1.127200       2.780300      1.5100000E-02
 H   -6.470100      -1.140200     -2.9500000E-02
 H   -6.165200       1.315600     -5.1700000E-02
 H    3.173700       1.507700     -2.2000000E-02
 H    5.266400      -2.363100      0.6174000    


%chk=000127073-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127073

0 1
S 5.843249 0.650472 1.007037
O 2.900288 -2.330824 -0.889701
O 6.122615 1.249021 -0.735757
O 6.098452 1.904494 1.983366
O 4.051226 0.534748 0.997841
N 2.619300 -1.253760 -0.242337
C -2.425822 -1.746758 -1.061831
C -1.113940 -1.164305 -0.551611
C -1.374055 0.037719 0.201355
C -3.462021 -0.764923 -0.530986
C -2.819688 0.277630 0.210778
C 0.187829 -1.627284 -0.721245
C -0.314333 0.776828 0.784849
C -4.859450 -0.772414 -0.678830
C -3.575903 1.315521 0.806885
C 1.248919 -0.872430 -0.129639
C 1.003615 0.322015 0.617607
C -5.614891 0.267490 -0.081628
C -4.978459 1.301728 0.654539
H -2.594526 -2.773465 -0.682839
H -2.443773 -1.812834 -2.167002
H 0.432604 -2.534079 -1.284106
H -0.512422 1.688689 1.356742
H -5.362790 -1.564363 -1.244192
H -3.088018 2.114831 1.375208
H 1.860964 0.857745 1.045807
H -6.705228 0.275580 -0.188094
H -5.584562 2.093918 1.106591
H 3.661842 -0.280096 0.437532
H 5.813678 2.201105 -0.781941