%chk=000059229.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059229

0 1
 S    1.250500       2.110700     -0.4997000    
 O   -2.383000     -0.6200000      -1.225000    
 O   -2.920700     -0.6588000       1.061300    
 C   -2.436900      0.1573000     -1.7700000E-02
 C   -1.031300      0.6448000      0.3105000    
 C  -0.4031000       1.461900     -0.8316000    
 C   -3.396300       1.324700     -0.2128000    
 C   -1.018800       1.389400       1.647000    
 C   -3.108800      -1.810700     -0.9211000    
 C   -2.877500      -1.992200      0.5539000    
 C    3.597100      0.7632000      2.9000000E-03
 C    2.118300      0.5268000     -0.2988000    
 C    4.392500     -0.5445000      0.1860000    
 C    3.791500      -1.361600       1.332500    
 C    4.426500      -1.391000      -1.087500    
 H  -0.4285000     -0.2612000      0.4509000    
 H  -0.3579000      0.8710000      -1.752700    
 H   -1.015800       2.340600      -1.052400    
 H   -4.405300      0.9394000     -0.4079000    
 H   -3.485100       1.953500      0.6777000    
 H   -3.141900       1.942300      -1.078500    
 H   -1.439900       2.396200       1.557000    
 H   -1.575700      0.8573000       2.424900    
 H   1.6000000E-03   1.497000       2.029700    
 H   -2.748400      -2.648200      -1.523300    
 H   -4.166100      -1.632000      -1.144600    
 H   -3.633000      -2.615400       1.038400    
 H   -1.883100      -2.403100      0.7588000    
 H    4.057100       1.341000     -0.8095000    
 H    3.698800       1.365700      0.9154000    
 H    1.990200     -5.3100001E-02  -1.216400    
 H    1.661700     -9.8000001E-03  0.5332000    
 H    5.422800     -0.2758000      0.4504000    
 H    4.459900      -2.191000       1.590100    
 H    2.823600      -1.802000       1.072900    
 H    3.666900     -0.7498000       2.232100    
 H    3.440400      -1.786100      -1.350500    
 H    5.097400      -2.247200     -0.9563000    
 H    4.798000     -0.8041000      -1.933900    


%chk=000059229-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059229

0 1
S 1.337103 2.095203 0.117157
O -1.993267 -0.731063 -0.983664
O -3.246265 -0.490862 1.025476
C -2.516986 0.286373 -0.018308
C -1.280806 0.988270 0.610026
C -0.402981 1.641935 -0.482172
C -3.539170 1.194361 -0.702802
C -1.683080 1.996259 1.706930
C -2.638255 -2.019481 -0.653815
C -2.856513 -1.907386 0.864062
C 3.677377 0.542857 0.201221
C 2.173527 0.402384 -0.095510
C 4.502156 -0.766023 0.009028
C 4.054168 -1.894287 0.970393
C 4.497914 -1.252683 -1.460862
H -0.693263 0.173221 1.079266
H -0.282399 0.969324 -1.347947
H -0.838016 2.596093 -0.828860
H -4.320095 0.578624 -1.179115
H -4.022096 1.857393 0.034353
H -3.055094 1.811728 -1.478318
H -2.231935 2.858313 1.282881
H -2.323358 1.514468 2.465687
H -0.774673 2.384509 2.200588
H -1.943828 -2.819398 -0.956701
H -3.600593 -2.124271 -1.193000
H -3.687433 -2.518835 1.249993
H -1.926869 -2.128399 1.425480
H 4.097992 1.328456 -0.457976
H 3.807012 0.897099 1.243757
H 1.991371 0.081570 -1.135605
H 1.690018 -0.311340 0.592737
H 5.549727 -0.503880 0.269380
H 4.741269 -2.758648 0.908087
H 3.040099 -2.258586 0.719610
H 4.040348 -1.544880 2.019976
H 3.491576 -1.590935 -1.771682
H 5.189840 -2.105117 -1.593948
H 4.813177 -0.447167 -2.150404


