%chk=000109654.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000109654

0 1
 S   0.2503000      0.2872000     -0.6366000    
 S    4.718300     -0.3578000      0.1854000    
 O   0.7429000      -1.037500     -0.9810000    
 O   0.4420000       1.395700      -1.559800    
 O    3.098100     -0.2872000      0.3883000    
 O    4.962900      -1.850700     -0.4251000    
 O    5.071300      0.5994000     -0.8464000    
 O    5.358900     -0.2971000       1.486100    
 N   -3.967600      -2.555200      3.0900000E-02
 C   -1.456000      0.1456000     -0.2742000    
 C   0.9878000      0.7630000      0.9091000    
 C   -2.232700       1.271600     -7.9999998E-04
 C   -2.037600      -1.122300     -0.2626000    
 C    2.489200      0.9350000      0.7848000    
 C   -4.172200     -0.1379000      0.2959000    
 C   -3.590700       1.129800      0.2844000    
 C   -3.395700      -1.264000      2.2399999E-02
 C   -1.640300       2.643000     -5.5999998E-03
 C   -5.628800     -0.2606000      0.6048000    
 H   0.5587000       1.688200       1.277500    
 H   0.7611000     -4.2399999E-02   1.616200    
 H   -1.449200      -2.012100     -0.4701000    
 H    2.725500       1.709400      4.6999998E-02
 H    2.905400       1.239700       1.751100    
 H   -4.197300       2.006500      0.4990000    
 H  -0.9564000       2.814100      0.8227000    
 H   -1.188800       2.905600     -0.9634000    
 H   -2.432600       3.391500      0.1304000    
 H   -5.781300     -0.8697000       1.502000    
 H   -6.088900      0.7154000      0.7947000    
 H   -6.163500     -0.7114000     -0.2378000    
 H   -4.948600      -2.689000      0.2324000    
 H   -3.389100      -3.360200     -0.1712000    
 H    4.499600      -2.580800      4.8799999E-02


%chk=000109654-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000109654

0 1
S 0.497815 0.404817 -0.391589
S 4.444471 -0.778607 -0.069059
O 0.994916 -1.161321 -0.671048
O 0.899832 1.550650 -1.478209
O 3.383226 -0.215061 1.428676
O 3.375342 -1.975175 -0.747868
O 4.597698 0.522103 -1.014391
O 5.714142 -1.523997 0.542554
N -3.710543 -2.645090 0.019185
C -1.376274 0.227833 -0.138529
C 1.233652 0.957708 1.330537
C -2.190903 1.374464 -0.006687
C -1.832706 -1.097097 -0.140024
C 2.752157 1.096794 1.265755
C -4.109696 -0.222790 0.168091
C -3.574319 1.081788 0.147314
C -3.222871 -1.341653 0.017149
C -1.696573 2.811100 -0.010678
C -5.598257 -0.456524 0.329056
H 0.725873 1.918770 1.515879
H 0.902930 0.172393 2.027665
H -1.115237 -1.912261 -0.283542
H 3.085839 1.596623 0.329701
H 3.080886 1.725707 2.117155
H -4.263664 1.928785 0.252267
H -1.351946 3.128188 0.994266
H -0.865923 2.960449 -0.721004
H -2.514927 3.493722 -0.294398
H -5.821650 -1.064906 1.228552
H -6.144570 0.494842 0.431649
H -6.024490 -0.988831 -0.545152
H -4.703506 -2.834882 0.110167
H -3.081800 -3.433194 -0.107825
H 2.365776 -1.590543 -0.756314


