%chk=000022574.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022574

0 1
 S    2.591400      0.4344000     -0.1217000    
 O   3.8199998E-02   2.002200     -8.4299996E-02
 O    2.841700       1.138800       1.331300    
 O    3.507000     -0.6921000     -0.2132000    
 O    2.588500       1.475600      -1.136100    
 O   -3.683900      0.4107000     -0.5363000    
 O   -2.631500       2.133800      0.5077000    
 N  -0.6989000      -3.509800      0.1172000    
 C   0.9634000     -0.2022000     -4.5400001E-02
 C  -0.1406000      0.6504000     -3.4400001E-02
 C   -1.429800      0.1216000      2.7200000E-02
 C   0.7780000      -1.583900      4.9999999E-03
 C  -0.5113000      -2.112700      6.6500001E-02
 C   -1.615200      -1.259900      7.7500001E-02
 C   -2.597100      0.9927000      3.9000001E-02
 H    1.624800      -2.265000     -3.0000001E-04
 H   -2.612300      -1.690300      0.1389000    
 H   -1.633300      -3.894000      0.1623000    
 H   0.1008000      -4.128700      0.1100000    
 H  -0.8131000       2.463900     -0.1376000    
 H    2.796100      0.5332000       2.108300    
 H   -4.465000       1.004100     -0.5244000    


%chk=000022574-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000022574

0 1
S 2.754083 0.226182 0.078488
O 0.219806 1.916607 0.231273
O 2.673622 1.414382 1.476234
O 3.673730 -1.000277 0.576533
O 3.094999 1.006572 -1.291998
O -3.779568 0.513759 -0.034195
O -2.319102 2.301915 0.137668
N -0.803242 -3.634296 -0.172012
C 0.966458 -0.376867 0.055608
C -0.077586 0.568845 0.090607
C -1.413754 0.059906 0.013432
C 0.755158 -1.754313 -0.021910
C -0.579151 -2.263819 -0.093382
C -1.649872 -1.334469 -0.086681
C -2.504660 1.041813 0.044703
H 1.620808 -2.427481 -0.011840
H -2.686406 -1.680046 -0.147550
H -1.746942 -4.007063 -0.216530
H -0.028334 -4.290937 -0.177424
H -0.660607 2.439491 0.208002
H 1.937755 2.053708 1.206094
H -4.449295 1.249186 -0.007920


