%chk=000133845.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000133845

0 1
 S   -4.472400     -0.4954000      0.1252000    
 O   -5.746700      0.4243000     -0.3126000    
 O   -4.465300     -0.6232000       1.571800    
 O   -4.422600      -1.662200     -0.7382000    
 N    3.543100     -0.1957000     -0.3188000    
 N    5.106500      -1.903900     -0.4166000    
 N    5.674600     -4.8500001E-02  0.7791000    
 C  -0.6549000       1.078200     -0.3676000    
 C   0.7145000      0.6049000      0.1257000    
 C   -1.811000      0.1695000      6.4900003E-02
 C    1.827300       1.548000     -0.3444000    
 C   -3.200700      0.6259000     -0.3581000    
 C    3.199500       1.137300      0.1787000    
 C    4.708400     -0.6592000      1.0900000E-02
 H  -0.8428000       2.092100      6.8999999E-03
 H  -0.6455000       1.142200      -1.462800    
 H   0.7109000      0.5561000       1.221200    
 H   0.8975000     -0.4108000     -0.2437000    
 H   -1.630500     -0.8379000     -0.3316000    
 H   -1.787800      6.9399998E-02   1.157600    
 H    1.845300       1.568500      -1.441200    
 H    1.611000       2.568400     -5.9000002E-03
 H   -3.425600       1.593800      0.1023000    
 H   -3.255800      0.7358000      -1.445900    
 H    3.186300       1.146000       1.275400    
 H    3.934100       1.874700     -0.1670000    
 H   -5.916700       1.212100      0.2557000    
 H    4.501100      -2.477800     -0.9933000    
 H    6.013700      -2.284300     -0.1702000    
 H    6.556700     -0.5102000      0.9733000    
 H    5.545100      0.8741000       1.178800    


%chk=000133845-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000133845

0 1
S -4.514819 -0.404358 0.263144
O -5.785203 0.378069 -0.865765
O -4.862931 -0.043860 1.802300
O -4.294349 -1.951859 -0.153303
N 3.530601 -0.210890 -0.209621
N 5.017486 -1.947762 -0.756202
N 5.816869 -0.218859 0.617204
C -0.606104 1.187558 -0.289237
C 0.756059 0.773356 0.310512
C -1.758804 0.287698 0.230826
C 1.922277 1.656484 -0.179667
C -3.083926 0.703527 -0.403274
C 3.290199 1.146077 0.322974
C 4.725899 -0.741714 -0.097924
H -0.820177 2.247540 -0.040049
H -0.552297 1.123923 -1.395338
H 0.700325 0.818398 1.418678
H 0.990290 -0.274524 0.043575
H -1.537674 -0.768984 -0.011324
H -1.821046 0.371423 1.332831
H 1.942365 1.661331 -1.287277
H 1.775514 2.703977 0.156102
H -3.423367 1.716291 -0.134177
H -3.139528 0.539166 -1.490882
H 3.275270 1.146622 1.439844
H 4.083422 1.867589 0.009792
H -6.672107 -0.036977 -0.663953
H 4.255123 -2.314984 -1.323847
H 5.637988 -2.622077 -0.309933
H 6.769024 -0.480359 0.371674
H 5.680919 0.600378 1.201917


