%chk=000126008.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126008

0 1
 S    3.460600       2.630400      0.5124000    
 O   -4.123300      -1.749900      0.6298000    
 O   -5.331700       2.405100      0.5900000    
 O   -1.882300      -3.544500      0.1906000    
 O    3.419400       1.551400     -0.7244000    
 O    3.096400      -3.827500      0.4508000    
 O    3.481600       4.082300     -0.2336000    
 O    2.224700       2.534400       1.267200    
 O    4.735600       2.472100       1.187800    
 C   -1.672800      0.6316000     -0.7461000    
 C   -1.694400       2.053100     -0.1010000    
 C   -2.829500     -0.1005000     -0.1680000    
 C  -0.4324000     -0.2317000     -0.4225000    
 C   -3.074400       2.757100     -0.2031000    
 C   -1.805800      0.7288000      -2.279700    
 C   -4.033600      0.4765000      0.2744000    
 C   -2.900300      -1.427300      0.1371000    
 C  -0.4889000      -1.624100     -0.1210000    
 C   -4.259000       1.902600      0.2696000    
 C   -1.803200      -2.331000      6.5499999E-02
 C   0.8426000      0.3565000     -0.5260000    
 C   -4.817600     -0.5688000      0.7098000    
 C   0.6833000      -2.368700      6.9200002E-02
 C    2.024100     -0.3820000     -0.3316000    
 C    1.942600      -1.759800     -3.2299999E-02
 C    3.287900      0.2228000     -0.4353000    
 C    3.125400      -2.493100      0.1590000    
 C    4.453200     -0.5197000     -0.2429000    
 C    4.372000      -1.876200      5.4200001E-02
 H  -0.9381000       2.702200     -0.5583000    
 H   -1.431200       1.972100      0.9636000    
 H   -3.271400       3.052700      -1.239400    
 H   -3.050800       3.667600      0.4065000    
 H  -0.9803000       1.304000      -2.714600    
 H   -1.795700     -0.2633000      -2.748800    
 H   -2.742500       1.210000      -2.581500    
 H   0.9066000       1.405900     -0.8050000    
 H   -5.812000     -0.6450000       1.125400    
 H   0.6119000      -3.427600      0.3095000    
 H    5.428100     -4.6900000E-02 -0.3264000    
 H    5.288600      -2.441500      0.2007000    
 H    4.006800      -4.156000      0.5461000    
 H    4.119600       4.162400     -0.9809000    


%chk=000126008-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126008

0 1
S 2.954180 3.381931 0.425464
O -4.249069 -1.813066 0.412235
O -5.321727 2.497900 0.573684
O -1.877966 -3.692420 0.094271
O 3.605642 1.367036 -0.753266
O 3.005143 -4.054369 0.284864
O 3.868462 4.125442 -1.014490
O 1.350439 3.519558 0.116988
O 3.513429 4.173785 1.729293
C -1.579152 0.613594 -0.568008
C -1.584718 1.947567 0.260993
C -2.806186 -0.130732 -0.145691
C -0.348903 -0.282058 -0.356124
C -2.919213 2.731857 0.096231
C -1.657248 0.928955 -2.106970
C -4.067125 0.465718 0.201783
C -2.921165 -1.499741 0.012789
C -0.471688 -1.706884 -0.157039
C -4.222049 1.934172 0.312344
C -1.805807 -2.432636 -0.025375
C 0.939599 0.284076 -0.445378
C -4.919978 -0.594609 0.520852
C 0.684076 -2.500205 -0.034900
C 2.107374 -0.503862 -0.323046
C 1.979355 -1.920989 -0.098342
C 3.444018 0.112040 -0.400056
C 3.178629 -2.700843 0.078703
C 4.595201 -0.719991 -0.137867
C 4.467415 -2.099441 0.063994
H -0.742411 2.599364 -0.031190
H -1.435654 1.697302 1.329200
H -2.980699 3.175078 -0.918586
H -2.941102 3.590058 0.791798
H -0.793775 1.548821 -2.404750
H -1.644342 -0.002766 -2.698766
H -2.583054 1.476077 -2.352136
H 1.053926 1.363852 -0.594208
H -5.954664 -0.646092 0.848494
H 0.561277 -3.576166 0.123463
H 5.578406 -0.239484 -0.150390
H 5.360894 -2.717801 0.215511
H 3.861396 -4.535277 0.418000
H 4.058632 3.331751 -1.597577


