%chk=000114299.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114299

1 1
 S   -3.523600     -6.6500001E-02  0.7418000    
 O    4.463000      0.6286000     -0.3526000    
 N  -0.8423000     -0.5863000      0.4433000    
 C   0.4584000     -0.2972000      0.2490000    
 C   0.8416000       1.051200      7.5400002E-02
 C   -1.246300      -1.992800      0.6249000    
 C   -1.800200      0.3494000      0.4806000    
 C  -0.1514000       2.039500      0.1124000    
 C    1.416600      -1.315100      0.2190000    
 C   -1.481100       1.687000      0.3164000    
 C    2.198300       1.349200     -0.1269000    
 C   -1.566600      -2.604000     -0.7246000    
 C    3.149700      0.3273000     -0.1555000    
 C    2.759700      -1.000400      1.6899999E-02
 C   -4.281200      0.5708000     -0.7772000    
 C   -5.777300      0.3208000     -0.7718000    
 C    5.382900     -0.4615000     -0.3710000    
 H  -0.4907000      -2.556800       1.175000    
 H   -2.101400      -2.068800       1.300900    
 H   0.1054000       3.088600     -1.4500000E-02
 H    1.199500      -2.372100      0.3085000    
 H   -2.231400       2.471200      0.3540000    
 H    2.518800       2.380200     -0.2631000    
 H   -2.367700      -2.068300      -1.241200    
 H   -1.885400      -3.643600     -0.5990000    
 H  -0.6940000      -2.599600      -1.385200    
 H    3.448800      -1.838100     -2.7000001E-03
 H   -4.100800       1.646300     -0.8647000    
 H   -3.826000      7.7799998E-02  -1.642100    
 H   -6.005900     -0.7490000     -0.7174000    
 H   -6.266400      0.8250000      6.8599999E-02
 H   -6.223400      0.7073000      -1.694300    
 H    6.379900     -3.9900001E-02 -0.5364000    
 H    5.182600      -1.143500      -1.204300    
 H    5.412100     -0.9804000      0.5932000    


%chk=000114299-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000114299

1 1
S -3.597253 -0.445538 -0.148283
O 4.534673 0.750668 -0.183635
N -0.893214 -0.812514 0.101530
C 0.481934 -0.475143 0.026924
C 0.859146 0.882589 -0.296618
C -1.276494 -2.219979 0.476559
C -1.876184 0.108883 -0.190890
C -0.182095 1.830611 -0.565399
C 1.510400 -1.429995 0.258393
C -1.514934 1.448478 -0.524620
C 2.228210 1.246882 -0.354308
C -1.328513 -3.161169 -0.741917
C 3.233512 0.294831 -0.106494
C 2.858060 -1.054101 0.195181
C -4.603476 1.163787 -0.401669
C -6.085725 0.787514 -0.285070
C 5.644327 -0.192348 0.060151
H -0.560293 -2.568987 1.235701
H -2.259190 -2.173766 0.975179
H 0.083300 2.862562 -0.817024
H 1.282680 -2.474598 0.477026
H -2.298322 2.171985 -0.749706
H 2.517549 2.274059 -0.595391
H -2.078675 -2.826438 -1.477961
H -1.615627 -4.172172 -0.404865
H -0.351205 -3.233467 -1.248715
H 3.623277 -1.814011 0.375828
H -4.297243 1.874147 0.383062
H -4.361211 1.554791 -1.402943
H -6.387675 0.054359 -1.052250
H -6.331755 0.382116 0.710776
H -6.692902 1.697883 -0.436700
H 6.552289 0.414729 -0.052355
H 5.642788 -1.005554 -0.688571
H 5.594043 -0.604793 1.084474


