%chk=000101368.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101368

0 1
 S    4.807400      0.3517000     -1.5100000E-02
 O    4.924600       1.008100      -1.306900    
 O    4.834200       1.129400       1.212800    
 O    8.423400      -1.183400      0.1642000    
 O    7.707100      0.9741000      7.8500003E-02
 C   -1.803200     -0.5889000     -0.1486000    
 C   -3.052900      0.2934000     -8.6599998E-02
 C  -0.5280000      0.2569000     -0.1059000    
 C   -4.361100     -0.5028000     -9.8700002E-02
 C   0.7559000     -0.5776000     -7.3700003E-02
 C   -5.611000      0.3796000     -6.2300000E-02
 C    2.069700      0.2115000     -0.1115000    
 C   -6.884900     -0.4665000     -2.3000001E-03
 C    3.339100     -0.6242000     -2.0700000E-02
 C   -8.134000      0.4132000      7.2700001E-02
 C   -9.407700     -0.4312000      9.8700002E-02
 C    6.106900     -0.8584000      9.0000004E-02
 C   -10.65030      0.4382000      0.2073000    
 C    7.464900     -0.2228000      0.1080000    
 H   -1.817800      -1.189200      -1.065900    
 H   -1.808300      -1.287600      0.6965000    
 H   -3.018800      0.9077000      0.8218000    
 H   -3.047500      0.9861000     -0.9374000    
 H  -0.5043000      0.9168000     -0.9818000    
 H  -0.5475000      0.9058000      0.7784000    
 H   -4.370400      -1.180900      0.7637000    
 H   -4.390800      -1.132600     -0.9964000    
 H   0.7463000      -1.198300      0.8313000    
 H   0.7468000      -1.271900     -0.9235000    
 H   -5.632600       1.022600     -0.9503000    
 H   -5.566600       1.038100      0.8136000    
 H    2.095100      0.8061000      -1.033400    
 H    2.060700      0.9367000      0.7122000    
 H   -6.938900      -1.109400     -0.8894000    
 H   -6.849200      -1.125900      0.8735000    
 H    3.403000      -1.308300     -0.8730000    
 H    3.338200      -1.214600      0.9013000    
 H   -8.160800       1.089800     -0.7902000    
 H   -8.087800       1.038700      0.9725000    
 H   -9.470700      -1.038500     -0.8117000    
 H   -9.379000      -1.122800      0.9489000    
 H    6.019900      -1.508100     -0.7850000    
 H    5.956200      -1.422600       1.014100    
 H   -10.63380       1.033500       1.125800    
 H   -11.54930     -0.1859000      0.2232000    
 H   -10.72620       1.121700     -0.6443000    
 H    9.325900     -0.7990000      0.1778000    


%chk=000101368-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000101368

0 1
S 5.017397 0.649775 0.747188
O 4.961536 1.766952 -0.440091
O 5.165063 1.089904 2.314080
O 5.713757 -1.509799 -1.612815
O 7.733421 -0.352687 -1.756813
C -1.638442 -0.508709 0.150325
C -2.929731 0.337268 0.077706
C -0.356901 0.346536 0.267399
C -4.214073 -0.516944 -0.016606
C 0.930527 -0.505367 0.353860
C -5.507299 0.326731 -0.078762
C 2.201677 0.372884 0.491942
C -6.792549 -0.528048 -0.156522
C 3.451129 -0.499915 0.588532
C -8.086916 0.314531 -0.210758
C -9.372405 -0.541197 -0.283088
C 6.576925 -0.557725 0.398565
C -10.660630 0.308687 -0.332707
C 6.780849 -0.768411 -1.069155
H -1.571632 -1.152824 -0.751433
H -1.701161 -1.195807 1.020130
H -2.989994 0.990094 0.973540
H -2.875642 1.016659 -0.798465
H -0.287981 1.029908 -0.603791
H -0.428376 0.992561 1.166561
H -4.264525 -1.198805 0.858235
H -4.157833 -1.167698 -0.914447
H 0.855692 -1.192968 1.221247
H 1.011969 -1.142225 -0.550847
H -5.463010 1.002718 -0.958315
H -5.558560 0.983721 0.814762
H 2.287851 1.048611 -0.379726
H 2.114335 1.007837 1.394558
H -6.744269 -1.182920 -1.051920
H -6.834244 -1.206242 0.721678
H 3.656353 -1.094277 -0.316205
H 3.504023 -1.109845 1.505738
H -8.049094 0.991132 -1.090282
H -8.135286 0.971125 0.683313
H -9.324431 -1.195042 -1.177970
H -9.407991 -1.218762 0.594540
H 6.305882 -1.473275 0.944301
H 7.407900 -0.012900 0.866124
H -10.749917 0.945378 0.567833
H -11.564354 -0.325817 -0.388922
H -10.660627 0.976172 -1.215243
H 5.843486 -1.602674 -2.595075


