%chk=000023801.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023801

0 1
 S    2.946600       2.109700     -0.4911000    
 O   -1.062800       1.837700       1.368600    
 N   -2.892200      0.2402000     -0.1779000    
 C   -3.785400      4.0899999E-02  -1.319000    
 C   -3.045500     -0.9632000      0.6390000    
 C   -5.033300     -0.5472000     -0.6768000    
 C   -4.547600      -1.204000      0.6116000    
 C   -1.512800      0.4636000     -0.5846000    
 C  -0.6151000      0.6974000      0.6366000    
 C   0.8234000      0.9313000      0.2304000    
 C    1.782100     -0.1117000      0.1371000    
 C    1.295000       2.169500     -7.3700003E-02
 C    3.020600      0.4028000     -0.2587000    
 C    1.679300      -1.504600      0.3695000    
 C    4.144500     -0.4298000     -0.4262000    
 C    2.792400      -2.333200      0.2046000    
 C    4.010900      -1.799400     -0.1896000    
 H   -3.369800     -0.6734000      -2.041300    
 H   -4.004200      0.9776000      -1.841100    
 H   -2.706200     -0.8301000       1.670600    
 H   -2.523300      -1.824300      0.2024000    
 H   -5.524000      -1.267500      -1.339100    
 H   -5.758300      0.2407000     -0.4409000    
 H   -5.034400     -0.7327000       1.473600    
 H   -4.783600      -2.272700      0.6356000    
 H   -1.129900     -0.3744000      -1.182100    
 H   -1.483400       1.356500      -1.223300    
 H  -0.6410000     -0.1493000       1.330100    
 H   0.7693000       3.114200     -8.3099999E-02
 H   -1.994900       1.686700       1.601100    
 H   0.7346000      -1.947600      0.6746000    
 H    5.102600     -2.0700000E-02 -0.7343000    
 H    2.700500      -3.400500      0.3851000    
 H    4.870800      -2.451600     -0.3157000    


%chk=000023801-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000023801

0 1
S 3.014259 2.336693 -0.282736
O -1.306203 1.767603 1.122680
N -2.816625 -0.007469 -0.170781
C -3.743454 -0.065651 -1.334907
C -3.300890 -1.053190 0.778229
C -5.130945 -0.211777 -0.670232
C -4.851056 -0.998881 0.655896
C -1.372580 -0.052616 -0.490938
C -0.586304 0.563661 0.712053
C 0.839627 0.912548 0.348995
C 1.895694 -0.072598 0.135489
C 1.270891 2.207980 0.173532
C 3.146464 0.526864 -0.224421
C 1.836437 -1.490362 0.247998
C 4.302204 -0.237686 -0.479795
C 2.986772 -2.261716 -0.001907
C 4.213352 -1.641914 -0.368114
H -3.524554 -0.948278 -1.983498
H -3.644933 0.845230 -1.950554
H -2.943334 -0.843886 1.801323
H -2.917614 -2.059296 0.481379
H -5.847326 -0.732904 -1.327972
H -5.544716 0.785291 -0.441561
H -5.300778 -0.479601 1.518709
H -5.274756 -2.017532 0.625020
H -1.011904 -1.081760 -0.719074
H -1.196957 0.582053 -1.378096
H -0.577596 -0.170632 1.550879
H 0.679669 3.111265 0.304995
H -2.254763 1.569234 0.831061
H 0.899970 -1.980754 0.536896
H 5.247769 0.240793 -0.755027
H 2.940272 -3.352621 0.087763
H 5.098806 -2.257189 -0.561286


