%chk=000037535.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037535

0 1
 S  -0.7618000       1.252000      0.6289000    
 O    6.417100      0.9535000     -0.1176000    
 O    4.647800      0.7580000      -1.526800    
 N   -1.045200      -1.167300     -0.2193000    
 C   0.6639000      0.2965000      0.4630000    
 C   0.3116000     -0.9732000     -4.6999999E-03
 C    2.989100     -0.3154000      0.5120000    
 C    1.998000      0.6456000      0.7276000    
 C   -1.699100     -6.9300003E-02  7.9800002E-02
 C    1.332600      -1.925500     -0.2139000    
 C    2.663000      -1.584800      4.7499999E-02
 C    4.416000      2.7700000E-02  0.7848000    
 C   -3.130100      9.3099996E-02 -2.3600001E-02
 C   -3.957000      -1.029100     -5.4900002E-02
 C   -3.683400       1.371100     -9.2900001E-02
 C    5.136500      0.6086000     -0.4153000    
 C   -5.339400     -0.8731000     -0.1557000    
 C   -5.065800       1.526900     -0.1937000    
 C   -5.893800      0.4048000     -0.2251000    
 H    2.248500       1.639100       1.088500    
 H    1.089000      -2.919900     -0.5771000    
 H    3.438000      -2.328600     -0.1207000    
 H    4.960400     -0.8673000       1.109400    
 H    4.472700      0.7555000       1.603300    
 H   -3.548900      -2.035400      7.9999998E-04
 H   -3.095200       2.283600     -0.1006000    
 H   -5.984400      -1.746600     -0.1798000    
 H   -5.498300       2.521500     -0.2539000    
 H   -6.970200      0.5262000     -0.3050000    
 H    6.884100       1.329000     -0.8943000    


%chk=000037535-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000037535

0 1
S -0.710216 1.530079 0.705881
O 5.703961 1.293642 -0.845987
O 5.778843 -1.027651 -0.908175
N -1.010571 -1.015362 -0.145664
C 0.742969 0.470316 0.538638
C 0.362505 -0.832873 0.075287
C 3.074119 -0.201815 0.611605
C 2.086638 0.792638 0.806151
C -1.725430 0.063797 0.115419
C 1.361260 -1.817071 -0.123208
C 2.703122 -1.497275 0.143929
C 4.541698 0.112562 0.910526
C -3.181872 0.175197 -0.022356
C -3.918330 -0.959439 -0.469881
C -3.878405 1.377810 0.276077
C 5.394463 0.021288 -0.347454
C -5.317107 -0.885653 -0.613036
C -5.279081 1.446040 0.130731
C -6.004430 0.315801 -0.313963
H 2.372668 1.789466 1.156259
H 1.068838 -2.808428 -0.480686
H 3.485389 -2.246696 -0.017792
H 4.944021 -0.624975 1.628579
H 4.642696 1.119388 1.343365
H -3.371359 -1.879588 -0.696780
H -3.327352 2.260786 0.621351
H -5.874503 -1.763451 -0.957789
H -5.804871 2.378254 0.363530
H -7.092823 0.370359 -0.426198
H 6.228862 1.200052 -1.687657


