%chk=000023403.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023403

0 1
 S   -6.705300      0.9936000      0.7692000    
 S    6.306100      0.1268000      -1.232500    
 O   -8.251100       1.172800      -1.886000    
 O    6.465500       2.913700      6.3100003E-02
 C  -0.3046000     -0.8585000      0.7691000    
 C   0.8839000     -0.7134000     -0.1839000    
 C   -1.574200     -0.2491000      0.1719000    
 C    2.144800      -1.352000      0.4024000    
 C   -2.755500     -0.3651000       1.138300    
 C    3.388500      -1.156300     -0.4701000    
 C   -4.013300      0.2876000      0.5556000    
 C    4.693900      -1.737900      8.8299997E-02
 C   -5.229000      0.2068000       1.478100    
 C    5.930100      -1.597300     -0.8004000    
 C   -7.215700     -0.3489000     -0.3276000    
 C    7.128900      0.6075000      0.3030000    
 C   -8.476600      1.1800000E-02  -1.097200    
 C    7.583600       2.057900      0.2586000    
 H  -0.4754000      -1.919900      0.9865000    
 H  -7.2600000E-02 -0.3664000       1.721500    
 H   0.6502000      -1.184500      -1.146200    
 H    1.067400      0.3499000     -0.3798000    
 H   -1.396000      0.8072000     -6.4000003E-02
 H   -1.817900     -0.7544000     -0.7705000    
 H    2.340300     -0.9235000       1.393200    
 H    1.975100      -2.425600      0.5500000    
 H   -2.955700      -1.421700       1.352600    
 H   -2.503800      0.1172000       2.090500    
 H    3.199300      -1.602400      -1.454800    
 H    3.509900     -7.9499997E-02 -0.6350000    
 H   -4.237900     -0.1961000     -0.4024000    
 H   -3.794600       1.340600      0.3357000    
 H    4.538300      -2.808100      0.2761000    
 H    4.890600      -1.290700       1.070200    
 H   -5.003200      0.7275000       2.415000    
 H   -5.455100     -0.8326000       1.739100    
 H    6.801000      -2.060800     -0.3255000    
 H    5.756500      -2.135000      -1.738900    
 H   -7.392000      -1.255600      0.2593000    
 H   -6.409000     -0.5411000      -1.041100    
 H    7.992400     -4.1999999E-02  0.4763000    
 H    6.420700      0.4826000       1.127700    
 H   -8.752700     -0.8097000      -1.766300    
 H   -9.316500      0.2019000     -0.4202000    
 H    8.061000       2.327900       1.206200    
 H    8.303200       2.225800     -0.5500000    
 H   -9.077400       1.357400      -2.364300    
 H    6.802900       3.825600      5.1600002E-02


%chk=000023403-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000023403

0 1
S -6.954750 1.032489 0.597243
S 6.473754 0.324141 -1.106190
O -9.401892 0.731585 -1.389223
O 7.773815 2.947576 0.103516
C -0.348755 -0.690732 0.685518
C 0.875922 -0.589891 -0.251515
C -1.640954 -0.113192 0.065316
C 2.169079 -1.168571 0.365783
C -2.864539 -0.202351 1.005982
C 3.394906 -1.045934 -0.566602
C -4.153111 0.375477 0.372555
C 4.682146 -1.636448 0.048120
C -5.363777 0.296064 1.318736
C 5.930748 -1.475576 -0.840025
C -7.347212 -0.308906 -0.688042
C 7.172208 0.674920 0.624151
C -8.853477 -0.507655 -0.817098
C 8.332753 1.660957 0.545877
H -0.516159 -1.754033 0.958373
H -0.127998 -0.157754 1.634108
H 0.655085 -1.119246 -1.202106
H 1.045152 0.473326 -0.521073
H -1.470770 0.947514 -0.213266
H -1.865448 -0.650127 -0.880046
H 2.383647 -0.644557 1.320930
H 2.004795 -2.235659 0.626706
H -3.032480 -1.262639 1.290052
H -2.641790 0.341234 1.947954
H 3.180376 -1.560399 -1.527114
H 3.573507 0.019480 -0.813406
H -4.377361 -0.170594 -0.566125
H -3.988405 1.432854 0.086963
H 4.532218 -2.720763 0.240442
H 4.868541 -1.169205 1.036656
H -5.185251 0.883318 2.237796
H -5.576982 -0.747484 1.617639
H 6.797147 -2.023124 -0.425644
H 5.740757 -1.855326 -1.860616
H -6.874471 -1.246533 -0.343622
H -6.918659 -0.016754 -1.660575
H 7.525059 -0.286108 1.040398
H 6.373177 1.082145 1.265202
H -9.051782 -1.368822 -1.494052
H -9.290287 -0.724346 0.180131
H 8.792251 1.762923 1.554576
H 9.099538 1.284207 -0.162940
H -10.388181 0.730445 -1.308966
H 8.506911 3.566074 -0.140078


