%chk=000103313.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103313

0 1
 S   -2.252000       2.632200     -0.2684000    
 S   -6.293200     -0.8748000      0.3939000    
 O   -1.809700       2.813900      -1.828700    
 O   -6.912400      -1.008300      -1.113400    
 O   -3.429200       3.455300     -5.5199999E-02
 O   -1.071800       2.781300      0.5630000    
 O   -6.446500      -2.174100       1.032300    
 O   -6.848600      0.3223000       1.005800    
 O    3.373800       1.973200      0.2240000    
 N    1.786200     -0.7469000     -0.6487000    
 N    2.355000     -0.6289000      0.4619000    
 N    7.833900      0.2709000     -0.2821000    
 C   -1.842300     -0.1186000     -0.2074000    
 C   -2.325300      -1.443800     -9.1499999E-02
 C   -2.748600      0.9516000     -0.1342000    
 C   -4.586700     -0.5845000      0.1646000    
 C   -3.700600      -1.659700      9.4200000E-02
 C   -4.111800      0.7187000      5.0700001E-02
 C  -0.4671000      9.7300000E-02 -0.3932000    
 C   -1.419000      -2.514000     -0.1650000    
 C   0.4191000     -0.9779000     -0.4637000    
 C  -5.6000002E-02  -2.281200     -0.3498000    
 C    3.728500     -0.3971000      0.2755000    
 C    5.963300      -1.266600      2.2299999E-02
 C    4.597900      -1.482500      0.2076000    
 C    6.454300      3.3900000E-02 -9.4400004E-02
 C    4.214200      0.9024000      0.1596000    
 C    5.579800       1.118300     -2.5699999E-02
 C    6.877900      -2.446100     -4.7600001E-02
 C    3.136800       2.533700       1.513700    
 H   -4.072200      -2.679200      0.1753000    
 H   -4.819200       1.540700      9.4499998E-02
 H  -3.4100000E-02   1.079600     -0.5389000    
 H   -1.767800      -3.541000     -7.8699999E-02
 H   0.6269000      -3.125100     -0.4043000    
 H    4.207300      -2.493200      0.3004000    
 H    5.956300       2.134700     -0.1168000    
 H   -2.522400       2.657200      -2.492000    
 H    7.619200      -2.405800      0.7573000    
 H    6.333200      -3.390400      6.1400000E-02
 H    7.390200      -2.478300      -1.014900    
 H   -6.555700      -1.753100      -1.652500    
 H    8.171200       1.221000     -0.3651000    
 H    8.491300     -0.4943000     -0.3365000    
 H    2.691800       1.790600       2.182900    
 H    2.436300       3.365800       1.401600    
 H    4.068700       2.915700       1.942600    


%chk=000103313-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000103313

0 1
S -1.717709 0.860887 2.781771
S -6.446230 -0.915823 0.472514
O -1.335156 2.454723 1.904771
O -6.886277 0.789475 -0.120459
O -2.834891 1.124341 3.920145
O -0.311586 0.174191 3.195825
O -6.931836 -1.997963 -0.626959
O -6.894713 -1.044582 2.020996
O 4.346070 -0.437621 -2.842522
N 1.680865 -0.595104 -1.388729
N 2.358670 -0.226406 -0.315581
N 7.950528 -0.294922 0.287429
C -1.784606 -0.374036 0.152182
C -2.552563 -0.984717 -0.931028
C -2.548596 0.050840 1.292139
C -4.599819 -0.684129 0.340305
C -3.967229 -1.126331 -0.813798
C -3.923865 -0.076036 1.426338
C -0.374913 -0.242695 0.023062
C -1.861060 -1.426043 -2.107613
C 0.272544 -0.690447 -1.146042
C -0.483868 -1.277668 -2.216343
C 3.750585 -0.118534 -0.383985
C 5.695898 0.029157 1.188931
C 4.329049 0.071665 0.919037
C 6.583424 -0.216548 0.079679
C 4.673844 -0.282781 -1.495097
C 6.052972 -0.350397 -1.232537
C 6.244015 0.204482 2.591684
C 3.439352 0.543034 -3.476324
H -4.548304 -1.593328 -1.616893
H -4.449403 0.258286 2.328031
H 0.233731 0.190412 0.820481
H -2.438674 -1.882935 -2.918390
H 0.062805 -1.610623 -3.104074
H 3.610298 0.209724 1.734186
H 6.718858 -0.485989 -2.091752
H -0.815342 3.028511 2.540267
H 6.931431 1.071512 2.663886
H 5.427830 0.375398 3.311851
H 6.798286 -0.692798 2.934043
H -7.870848 0.912667 0.017208
H 8.583938 -0.485385 -0.484913
H 8.346719 -0.178439 1.215976
H 2.416215 0.413074 -3.082584
H 3.479835 0.304426 -4.549778
H 3.810624 1.570372 -3.300933


