%chk=000178630.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178630

0 1
 S   -2.121200     -0.2810000      0.4028000    
 S   0.7142000       1.637200      0.1213000    
 S   0.9022000      -1.553200       1.429100    
 P  -0.2839000      0.1789000       1.266300    
 O   -2.783300      -1.172500       1.334000    
 O   -1.838800     -0.6868000     -0.9594000    
 O  -0.5454000      0.7254000       2.647700    
 C   -3.045700       1.228000      0.3421000    
 C   -4.430300      0.8961000     -0.1224000    
 C    2.254400       1.979500      0.9952000    
 C    1.172900      -2.147900     -0.2507000    
 C   -4.725000      0.9085000      -1.482700    
 C   -5.414200      0.5778000      0.8093000    
 C    3.087900       3.014800      0.2919000    
 C    2.014400      -3.393900     -0.2828000    
 C   -6.014700      0.5996000      -1.915000    
 C   -6.703800      0.2688000      0.3769000    
 C   -7.004200      0.2798000     -0.9851000    
 C    2.916700       4.357900      0.6011000    
 C    1.399500      -4.637500     -0.2190000    
 C    4.019000       2.615100     -0.6580000    
 C    3.395700      -3.285600     -0.3765000    
 C    3.689900       5.318200     -5.1100001E-02
 C    2.179900      -5.793300     -0.2490000    
 C    4.792200       3.575700      -1.310100    
 C    4.176000      -4.441500     -0.4066000    
 C    4.627700       4.927200      -1.006600    
 C    3.567900      -5.695300     -0.3428000    
 H   -3.054200       1.664800       1.345200    
 H   -2.542500       1.921900     -0.3370000    
 H    2.824000       1.049400       1.098600    
 H    2.020200       2.310600       2.013300    
 H    1.648800      -1.357800     -0.8419000    
 H   0.2057000      -2.346700     -0.7228000    
 H   -3.962700       1.156400      -2.216300    
 H   -5.193200      0.5671000       1.873200    
 H   -6.248600      0.6080000      -2.975500    
 H   -7.474200      2.0000000E-02   1.100800    
 H   -8.008300      3.9299998E-02  -1.321700    
 H    2.188700       4.673900       1.343000    
 H   0.3192000      -4.725800     -0.1449000    
 H    4.154800       1.565300     -0.9028000    
 H    3.879700      -2.314100     -0.4258000    
 H    3.561700       6.370600      0.1849000    
 H    1.706600      -6.769600     -0.1990000    
 H    5.522300       3.271400      -2.054500    
 H    5.257000      -4.365200     -0.4794000    
 H    5.229700       5.675000      -1.514500    
 H    4.175600      -6.595100     -0.3660000    


%chk=000178630-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178630

0 1
S -0.891444 0.046595 0.996423
S 2.668162 0.673186 -0.435171
S 2.172835 -2.338956 1.786052
P 1.801227 -0.060187 1.637236
O -1.921277 0.399860 2.216150
O -1.059263 -1.396914 0.223407
O 2.373979 0.812110 2.855497
C -1.111490 1.533958 -0.475171
C -2.505685 1.506808 -0.938282
C 3.231451 2.403505 0.219979
C 1.787360 -2.883376 -0.035148
C -2.893175 0.666894 -2.023124
C -3.492036 2.305938 -0.289247
C 2.116952 3.418733 0.261307
C 1.908882 -4.385287 -0.055289
C -4.230291 0.649079 -2.464481
C -4.827968 2.284869 -0.733687
C -5.199792 1.458647 -1.822726
C 1.425944 3.669645 1.477620
C 0.774347 -5.192378 0.229274
C 1.741393 4.137365 -0.904644
C 3.148852 -5.012548 -0.349827
C 0.378296 4.618351 1.521879
C 0.876993 -6.599655 0.206214
C 0.694470 5.084287 -0.859959
C 3.250370 -6.420587 -0.373024
C 0.008089 5.327026 0.354455
C 2.114609 -7.217073 -0.095023
H -0.802203 2.409526 0.112113
H -0.339522 1.187530 -1.175665
H 4.029058 2.668867 -0.494125
H 3.669079 2.218689 1.214179
H 2.530447 -2.382996 -0.675721
H 0.766010 -2.531784 -0.246813
H -2.143087 0.029628 -2.504661
H -3.201082 2.931140 0.562298
H -4.522865 0.003620 -3.299380
H -5.581767 2.901100 -0.232405
H -6.240631 1.439896 -2.164558
H 1.711475 3.116869 2.380205
H -0.180995 -4.708811 0.464282
H 2.269729 3.952002 -1.848052
H 4.029687 -4.394546 -0.561861
H -0.140820 4.806769 2.468039
H -0.004007 -7.214147 0.421569
H 0.416935 5.635256 -1.765471
H 4.209606 -6.895694 -0.606260
H -0.799632 6.066491 0.390738
H 2.193095 -8.309899 -0.112341


