%chk=000042854.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042854

0 1
 S   0.1134000     -0.6078000      -1.372200    
 O    2.517600      -2.241400      0.7969000    
 O    3.539300      -1.869700      -1.199200    
 C   -2.534900      9.9999997E-05 -0.7424000    
 C   -3.621200      6.6699997E-02  0.1302000    
 C   -1.309100     -0.5003000     -0.2985000    
 C   -3.484000     -0.3672000       1.448800    
 C   -1.174500     -0.9339000       1.022100    
 C   -2.708100      0.4709000      -2.153500    
 C    1.279100      0.4346000     -0.5021000    
 C   -2.260700     -0.8674000       1.894700    
 C   -4.943000      0.5973000     -0.3194000    
 C    2.500400     -5.4000001E-02 -3.8300000E-02
 C   0.9380000       1.770900     -0.2935000    
 C    3.380600      0.7936000      0.6344000    
 C    1.818200       2.618700      0.3790000    
 C    3.039500       2.130000      0.8430000    
 C    2.909500      -1.441100     -0.2301000    
 H   -4.319700     -0.3236000       2.142100    
 H  -0.2360000      -1.335700       1.395600    
 H   -2.128100       1.386100      -2.316100    
 H   -2.371300     -0.2973000      -2.858700    
 H   -3.737600      0.6911000      -2.442800    
 H   -2.154500      -1.206900       2.920900    
 H   -4.847700       1.622400     -0.6927000    
 H   -5.378700     -4.6100002E-02  -1.090900    
 H   -5.662500      0.6324000      0.5069000    
 H  -3.4000000E-03   2.180700     -0.6514000    
 H    4.335900      0.4261000       1.000800    
 H    1.553600       3.659600      0.5400000    
 H    3.724900       2.790200       1.366200    
 H    2.795700      -3.172300      0.6613000    


%chk=000042854-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042854

0 1
S 0.035927 0.269880 -1.435624
O 1.429023 -2.137326 -0.118743
O 3.701425 -2.053535 -0.570715
C -2.684482 0.030237 -0.796727
C -3.787445 -0.162378 0.091643
C -1.370157 0.048207 -0.246105
C -3.548090 -0.322375 1.479830
C -1.137700 -0.125873 1.135451
C -2.887741 0.195841 -2.293084
C 1.408735 0.832330 -0.334023
C -2.236274 -0.304342 2.000149
C -5.218595 -0.196839 -0.424099
C 2.524744 0.010167 -0.010966
C 1.416257 2.195876 0.044847
C 3.649309 0.589732 0.639946
C 2.516296 2.748897 0.735542
C 3.645324 1.945284 1.019820
C 2.633714 -1.456070 -0.291901
H -4.399594 -0.466681 2.155115
H -0.117226 -0.134436 1.527993
H -2.279033 1.032803 -2.684546
H -2.570215 -0.711732 -2.843796
H -3.940643 0.388346 -2.550114
H -2.065928 -0.438772 3.074064
H -5.509889 0.760002 -0.898221
H -5.366157 -0.991398 -1.179371
H -5.924041 -0.385356 0.402865
H 0.557722 2.820020 -0.221203
H 4.514451 -0.049699 0.842916
H 2.500645 3.804825 1.025946
H 4.514667 2.372803 1.530116
H 1.565674 -3.101738 -0.325905


