%chk=000023920.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023920

0 1
 S   -5.299300      -1.378200     -0.2543000    
 O    5.847800     -0.4120000      3.6800001E-02
 C   -2.750300     -0.3289000      0.5735000    
 C   -1.994900      0.9849000      0.2574000    
 C  -0.4681000      0.8821000      0.4239000    
 C   0.1501000     -0.3140000     -0.3400000    
 C   -4.153700      1.1500000E-02  5.1000002E-03
 C   -2.072900      -1.534700     -0.1208000    
 C   -2.486200       1.382300      -1.144200    
 C  -0.5594000      -1.607900      0.1027000    
 C   -3.875000      0.7567000      -1.304900    
 C   0.2464000       2.174100      1.8700000E-02
 C   -2.826200     -0.5762000       2.091300    
 C    1.671600     -0.3427000     -0.2046000    
 C    1.700700       2.123000      0.4748000    
 C    2.389500      0.8222000      0.1439000    
 C    2.401800      -1.504100     -0.5147000    
 C    3.791900      0.7804000      0.2354000    
 C    3.795600      -1.529300     -0.4306000    
 C    4.490600     -0.3890000     -4.9300000E-02
 H   -2.348200       1.765000      0.9490000    
 H  -0.2788000      0.7312000       1.497500    
 H  -3.5900000E-02 -0.1835000      -1.414900    
 H   -4.661500      0.7071000      0.6863000    
 H   -2.248200      -1.500700      -1.203600    
 H   -2.519600      -2.474000      0.2283000    
 H   -1.829200       1.015500      -1.939000    
 H   -2.532400       2.472200      -1.245900    
 H  -0.3385000      -1.820600       1.155700    
 H  -0.1929000      -2.468700     -0.4668000    
 H   -4.633800       1.525000      -1.491600    
 H   -3.867400      8.9299999E-02  -2.175300    
 H  -0.2407000       3.047400      0.4681000    
 H   0.2057000       2.307500      -1.069800    
 H   -3.396600      -1.483300       2.317500    
 H   -1.834500     -0.6929000       2.538300    
 H   -3.316200      0.2582000       2.605600    
 H    1.743600       2.262100       1.562600    
 H    2.241200       2.958800      1.4300000E-02
 H   -5.421800      -1.722100       1.035900    
 H    1.901500      -2.411700     -0.8391000    
 H    4.341600       1.672900      0.5274000    
 H    4.324400      -2.447800     -0.6713000    
 H    6.163600      -1.302000     -0.1964000    


%chk=000023920-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000023920

0 1
S -5.364508 -1.443576 -0.250380
O 5.933115 -0.376966 -0.003567
C -2.762794 -0.322843 0.597040
C -1.999516 1.004519 0.244290
C -0.465261 0.903303 0.429793
C 0.144978 -0.299912 -0.337674
C -4.161984 0.011099 -0.002241
C -2.089046 -1.528528 -0.119897
C -2.497543 1.391022 -1.187631
C -0.560948 -1.607177 0.111546
C -3.888362 0.697614 -1.365213
C 0.271914 2.206665 0.053232
C -2.847346 -0.570121 2.119072
C 1.677622 -0.331581 -0.213032
C 1.734369 2.140187 0.536024
C 2.422248 0.826910 0.168150
C 2.400623 -1.509293 -0.532164
C 3.834169 0.771463 0.226972
C 3.808131 -1.568671 -0.475005
C 4.526496 -0.413921 -0.087805
H -2.360206 1.787391 0.947444
H -0.278772 0.725472 1.513196
H -0.090250 -0.163581 -1.418391
H -4.675613 0.717069 0.677351
H -2.276037 -1.463546 -1.210244
H -2.575695 -2.464163 0.213713
H -1.792462 1.042941 -1.964210
H -2.572733 2.487227 -1.296340
H -0.328611 -1.797608 1.178607
H -0.171984 -2.475636 -0.452474
H -4.692905 1.407839 -1.621257
H -3.852047 -0.054802 -2.174292
H -0.234029 3.081403 0.507883
H 0.240297 2.347214 -1.045818
H -3.462469 -1.463855 2.339847
H -1.851611 -0.742707 2.564397
H -3.301043 0.295744 2.638956
H 1.751935 2.252848 1.640676
H 2.318528 2.989171 0.132013
H -5.611090 -1.677350 1.093887
H 1.858376 -2.409774 -0.839667
H 4.413718 1.655296 0.515772
H 4.334197 -2.497943 -0.730388
H 6.319553 -1.253745 -0.249273


