%chk=000081565.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081565

0 1
 S   0.4377000     -0.5373000      -1.221100    
 O   0.5946000      -1.973600      -1.357700    
 O   0.5697000      0.3096000      -2.392300    
 O    3.660600       1.824600     -0.1922000    
 O    4.067300     -0.8736000      0.7092000    
 N    1.482000      3.8300000E-02  2.4700001E-02
 C    1.368300       1.465000      0.4206000    
 C    1.717300     -0.8458000       1.194500    
 C   -1.171700     -0.2465000     -0.5415000    
 C    2.724800       1.979000      0.8673000    
 C    2.940400      -1.708600      0.9427000    
 C   -1.794700      0.9641000     -0.7817000    
 C   -1.770800      -1.236700      0.2147000    
 C   -3.684300      0.2066000      0.5192000    
 C   -3.062400       1.192700     -0.2465000    
 C   -3.038500      -1.008200      0.7498000    
 C   -5.040200      0.4503000       1.090400    
 H    1.045700       2.055500     -0.4435000    
 H   0.6259000       1.586500       1.216500    
 H    1.857700     -0.2656000       2.112400    
 H   0.8479000      -1.483000       1.379200    
 H    3.115800       1.464600       1.748300    
 H    2.662900       3.044100       1.114200    
 H    2.814800      -2.366500      7.7799998E-02
 H    3.152700      -2.332300       1.816100    
 H   -1.327100       1.745100      -1.372800    
 H   -1.286400      -2.189000      0.4054000    
 H   -3.555900       2.142600     -0.4344000    
 H   -3.513700      -1.784900       1.343200    
 H   -5.193000       1.513300       1.305600    
 H   -5.809600      0.1210000      0.3851000    
 H   -5.174300     -8.9699998E-02   2.033900    
 H    3.322400       2.318400     -0.9585000    
 H    3.898400     -0.3842000     -0.1140000    


%chk=000081565-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000081565

0 1
S 0.448785 -0.559981 -0.595985
O 0.623793 -2.165210 -0.795580
O 0.862933 0.526786 -1.780389
O 3.173643 1.500591 -0.756212
O 4.536760 -0.475987 0.401926
N 1.319136 -0.124479 0.973255
C 1.503041 1.336508 1.142965
C 2.314568 -1.130873 1.439817
C -1.357512 -0.193273 -0.219767
C 2.791384 1.992191 0.568718
C 3.520673 -1.504846 0.530457
C -1.923218 0.983822 -0.733094
C -2.077572 -1.138826 0.528799
C -4.060578 0.314429 0.304460
C -3.286883 1.229875 -0.456652
C -3.438137 -0.868737 0.788244
C -5.532718 0.573557 0.565102
H 0.610631 1.825104 0.706171
H 1.466065 1.535409 2.232855
H 2.699639 -0.717668 2.393251
H 1.761762 -2.061451 1.669983
H 3.653800 1.769107 1.219371
H 2.636364 3.090412 0.544053
H 3.139262 -1.846244 -0.454292
H 4.018757 -2.366172 1.013474
H -1.324049 1.662220 -1.348750
H -1.598632 -2.057446 0.881644
H -3.755626 2.141272 -0.844802
H -4.025047 -1.587840 1.370861
H -5.756223 1.653818 0.596855
H -6.155412 0.132332 -0.237023
H -5.861651 0.125600 1.518650
H 2.359418 1.271831 -1.314396
H 4.197144 0.229966 -0.239370


