%chk=000018315.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018315

0 1
 S    1.820800       1.837100      -1.186300    
 S   -1.867800       1.844600       1.192400    
 S    4.138700       3.278800      7.7600002E-02
 S   -4.210800       3.232000     -8.2000002E-02
 O    4.019000      0.7055000      2.3900000E-02
 O   -4.039600      0.6771000     -2.8800000E-02
 C    4.434300      -1.638800      0.2792000    
 C   -4.394800      -1.691200     -0.2785000    
 C    3.925900      -3.049400     -4.3000001E-03
 C   -3.855000      -3.089700      7.0000002E-03
 C    3.482300     -0.5796000     -0.2581000    
 C   -3.467600     -0.6102000      0.2586000    
 C    4.900400      -4.103800      0.4957000    
 C   -4.804800      -4.166400     -0.4927000    
 C   0.7033000       1.824000      0.2345000    
 C  -0.7437000       1.849200     -0.2362000    
 C    3.359000       1.854600     -0.3341000    
 C   -3.399500       1.826200      0.3320000    
 H    4.570700      -1.493200       1.358200    
 H    5.425300      -1.495100     -0.1696000    
 H   -4.533400      -1.549400      -1.357600    
 H   -5.389200      -1.569000      0.1692000    
 H    3.776800      -3.182600      -1.082100    
 H    2.953200      -3.198600      0.4787000    
 H   -3.704100      -3.218200       1.085300    
 H   -2.878600      -3.217300     -0.4747000    
 H    3.370800     -0.6999000      -1.341600    
 H    2.506900     -0.6916000      0.2263000    
 H   -3.356800     -0.7212000       1.343000    
 H   -2.489900     -0.6951000     -0.2263000    
 H    5.049700      -4.018600       1.576800    
 H    4.515800      -5.106300      0.2837000    
 H    5.873700      -4.002700      5.1000002E-03
 H   -4.954700      -4.085800      -1.574100    
 H   -4.397900      -5.159700     -0.2792000    
 H   -5.780800      -4.086800     -3.3000000E-03
 H   0.8981000      0.9277000      0.8327000    
 H   0.9151000       2.700500      0.8569000    
 H  -0.9384000       2.750500     -0.8280000    
 H  -0.9610000      0.9769000     -0.8614000    


%chk=000018315-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000018315

0 1
S 2.256168 -1.004779 -0.018825
S -2.232994 -1.033471 0.018094
S 2.448534 -1.005310 3.117449
S -2.426408 -1.037962 -3.118278
O 4.532777 -0.990629 1.468681
O -4.509985 -1.049964 -1.468712
C 6.709251 -0.981122 0.393193
C -6.685819 -1.061880 -0.391863
C 7.523792 -0.977238 -0.922910
C -7.499512 -1.065299 0.924770
C 5.205638 -0.988149 0.124372
C -5.182033 -1.054235 -0.123984
C 9.045856 -0.970713 -0.665523
C -9.021735 -1.072920 0.668365
C 0.470964 -1.017060 0.612892
C -0.447775 -1.020965 -0.613696
C 3.165402 -0.999757 1.597114
C -3.142649 -1.041041 -1.597676
H 6.973208 -1.869664 0.997130
H 6.964840 -0.090159 0.997137
H -6.941669 -1.953106 -0.995316
H -6.950278 -0.173596 -0.995946
H 7.248463 -0.089886 -1.528363
H 7.256143 -1.866567 -1.528896
H -7.231987 -0.175323 1.529856
H -7.223269 -1.952001 1.530759
H 4.879902 -0.086082 -0.428714
H 4.888020 -1.893580 -0.427874
H -4.864880 -0.149087 0.429056
H -4.855169 -1.956583 0.427913
H 9.355230 -1.862620 -0.089663
H 9.611429 -0.967814 -1.614659
H 9.347426 -0.076638 -0.088885
H -9.323207 -1.967712 0.092797
H -9.586700 -1.075170 1.617866
H -9.331938 -0.181737 0.091823
H 0.354831 -1.914518 1.240864
H 0.343498 -0.123009 1.243493
H -0.331584 -0.123323 -1.241365
H -0.320381 -1.914833 -1.244576


