%chk=000093666.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093666

0 1
 S    10.43180      0.2154000     -0.1585000    
 O    6.480100      0.4630000     -2.4599999E-02
 O    7.902700      -1.348200     -9.0999998E-02
 C   -2.281800     -0.4193000      9.7599998E-02
 C   -3.588400      0.3793000      0.1609000    
 C   -1.028400      0.4593000      0.1203000    
 C   -4.877800     -0.4483000      0.1145000    
 C   0.2449000     -0.3888000      7.9599999E-02
 C   -6.148000      0.4054000      0.1218000    
 C    1.531700      0.4438000      8.7200001E-02
 C   -7.433600     -0.4195000     -3.3000000E-03
 C    2.805200     -0.4067000      0.1214000    
 C   -8.733900      0.3863000     -9.4400004E-02
 C    4.088400      0.4238000      5.8899999E-02
 C   -9.988400     -0.4855000     -0.1644000    
 C    5.359800     -0.4125000      6.8000001E-03
 C   -11.24840      0.3610000     -0.2608000    
 C    7.712000     -0.1403000     -7.3299997E-02
 C    8.772200      0.9317000     -9.8800004E-02
 H   -2.252900      -1.117300      0.9433000    
 H   -2.280800      -1.027900     -0.8151000    
 H   -3.590200      0.9802000       1.079100    
 H   -3.600300       1.091500     -0.6742000    
 H   -1.043100       1.142300     -0.7373000    
 H   -1.029000       1.076900       1.026300    
 H   -4.896200      -1.135000      0.9694000    
 H   -4.866500      -1.069000     -0.7899000    
 H   0.2530000      -1.066000      0.9428000    
 H   0.2338000      -1.020000     -0.8176000    
 H   -6.185900      0.9956000       1.045400    
 H   -6.104700       1.120000     -0.7092000    
 H    1.546600       1.084200     -0.8033000    
 H    1.525500       1.111500      0.9576000    
 H   -7.497200      -1.097600      0.8572000    
 H   -7.358700      -1.056800     -0.8936000    
 H    2.811400      -1.015200       1.033900    
 H    2.790100      -1.104400     -0.7250000    
 H   -8.689400       1.033300     -0.9792000    
 H   -8.802400       1.048300      0.7777000    
 H    4.061500       1.080900     -0.8199000    
 H    4.134200       1.096200      0.9250000    
 H   -9.930800      -1.148400      -1.035300    
 H   -10.04760      -1.122400      0.7256000    
 H    5.358800      -1.039700     -0.8922000    
 H    5.421700      -1.053900      0.8935000    
 H   -11.35020       1.013900      0.6120000    
 H   -11.23290      0.9869000      -1.158700    
 H   -12.13330     -0.2813000     -0.3096000    
 H    8.687500       1.541500      0.8049000    
 H    8.629300       1.556700     -0.9847000    
 H    11.09970       1.378300     -0.1704000    


%chk=000093666-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000093666

0 1
S 10.593623 0.146776 0.059734
O 6.560770 0.505439 0.036772
O 7.987106 -1.342678 0.049594
C -2.319667 -0.425261 0.000840
C -3.615588 0.416541 -0.006206
C -1.032531 0.429948 0.003767
C -4.901695 -0.440314 -0.008968
C 0.261386 -0.414873 0.011244
C -6.198625 0.399960 -0.015851
C 1.549402 0.438728 0.014282
C -7.484294 -0.457781 -0.018184
C 2.839865 -0.411440 0.021811
C -8.781799 0.381760 -0.024537
C 4.124864 0.450528 0.025053
C -10.067357 -0.476962 -0.027025
C 5.381239 -0.418558 0.033185
C -11.358336 0.370180 -0.033311
C 7.814379 -0.106196 0.044939
C 8.891737 0.967047 0.046981
H -2.319864 -1.089681 0.890336
H -2.313057 -1.093979 -0.885406
H -3.622985 1.085231 0.880075
H -3.616275 1.080879 -0.895794
H -1.032010 1.093968 -0.885982
H -1.039107 1.098620 0.890004
H -4.900806 -1.104801 0.880519
H -4.894223 -1.109101 -0.895206
H 0.259444 -1.078912 0.900921
H 0.266690 -1.083554 -0.874929
H -6.206440 1.068912 0.870249
H -6.200091 1.064243 -0.905502
H 1.552167 1.102097 -0.875555
H 1.544978 1.106703 0.900658
H -7.482685 -1.122337 0.871313
H -7.476763 -1.126555 -0.904491
H 2.834220 -1.074568 0.911734
H 2.841668 -1.079020 -0.864788
H -8.785094 1.046448 -0.913942
H -8.791193 1.050397 0.861855
H 4.139915 1.106713 -0.866330
H 4.132120 1.111716 0.912828
H -10.056873 -1.144687 -0.912793
H -10.062884 -1.140785 0.861719
H 5.451013 -1.065706 -0.860667
H 5.442175 -1.061466 0.930740
H -11.406707 1.024262 0.857888
H -11.400552 1.020345 -0.927689
H -12.262480 -0.266249 -0.035032
H 8.763987 1.603111 0.938415
H 8.774195 1.596140 -0.850800
H 11.284140 1.351968 0.059934


