%chk=000059230.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059230

0 1
 S   0.9267000      -2.106500      0.4887000    
 O   -3.121300      0.8141000      -1.086200    
 O   -2.712900      0.6351000       1.220100    
 C   -2.711100     -7.1099997E-02 -3.1300001E-02
 C   -1.300500     -0.5630000     -0.3299000    
 C  -0.7299000      -1.449600      0.7902000    
 C   -3.693700      -1.231500      6.3199997E-02
 C   -1.245100      -1.235700      -1.703100    
 C   -3.643200       1.960000     -0.4145000    
 C   -2.845400       2.009600      0.8596000    
 C    1.824400     -0.5302000      0.4071000    
 C    3.310000     -0.7684000      0.1515000    
 C    4.073400      0.5572000      8.8100001E-02
 C    5.556900      0.3318000     -0.2032000    
 C    6.311700       1.648000     -0.3003000    
 H  -0.6790000      0.3388000     -0.3995000    
 H   -1.362900      -2.328900      0.9398000    
 H  -0.7132000     -0.9086000       1.742500    
 H   -4.702900     -0.8416000      0.2477000    
 H   -3.478800      -1.902700      0.8991000    
 H   -3.760900      -1.805600     -0.8653000    
 H   -1.684900      -2.238200      -1.683900    
 H   -1.761400     -0.6541000      -2.473400    
 H  -0.2117000      -1.340900      -2.049900    
 H   -3.531600       2.854800      -1.031600    
 H   -4.706500       1.785400     -0.2181000    
 H   -3.335500       2.573600       1.657000    
 H   -1.842300       2.416400      0.6920000    
 H    1.684600      9.9999998E-03   1.349000    
 H    1.429900      7.9499997E-02 -0.4097000    
 H    3.735700      -1.390400      0.9491000    
 H    3.446100      -1.308900     -0.7938000    
 H    3.639900       1.192800     -0.6938000    
 H    3.961700       1.092900       1.038700    
 H    5.672800     -0.2176000      -1.144700    
 H    6.002400     -0.2823000      0.5880000    
 H    5.911500       2.271500      -1.106200    
 H    6.241900       2.210300      0.6364000    
 H    7.370400       1.463400     -0.5076000    


%chk=000059230-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059230

0 1
S 1.001922 -2.140842 -0.180765
O -3.410894 0.683556 -1.023608
O -2.312885 0.764517 1.087500
C -2.767224 -0.174462 0.015143
C -1.531883 -0.844984 -0.647166
C -0.743604 -1.675806 0.390772
C -3.795224 -1.113871 0.646573
C -1.912983 -1.676757 -1.890568
C -3.565142 2.034848 -0.443515
C -2.370610 2.127904 0.519770
C 1.880167 -0.495340 0.174494
C 3.389233 -0.643193 -0.082309
C 4.161772 0.667690 0.202220
C 5.682767 0.532618 -0.041328
C 6.454351 1.838817 0.246010
H -0.889780 -0.003011 -0.977816
H -1.238214 -2.642372 0.592927
H -0.637778 -1.123360 1.340357
H -4.639893 -0.525148 1.041060
H -3.345360 -1.676469 1.482657
H -4.181082 -1.827539 -0.100036
H -2.524480 -2.557459 -1.616910
H -2.484624 -1.064837 -2.608226
H -0.995539 -2.044407 -2.383309
H -3.533869 2.753613 -1.277887
H -4.528087 2.119652 0.098208
H -2.517667 2.824592 1.360214
H -1.433574 2.372034 -0.019656
H 1.680046 -0.232550 1.229372
H 1.445151 0.283686 -0.477167
H 3.791628 -1.455555 0.554949
H 3.558209 -0.949731 -1.134024
H 3.760865 1.481720 -0.437411
H 3.986656 0.979530 1.253077
H 5.857313 0.220715 -1.091196
H 6.081665 -0.282554 0.595961
H 6.096110 2.662123 -0.400708
H 6.319518 2.155793 1.297439
H 7.538324 1.716239 0.066699


