%chk=000005852.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005852

0 1
 S    1.189700      -1.946600      3.4100000E-02
 O   -1.910100      -1.234900      0.6403000    
 O   -2.063400      0.4015000     -0.9196000    
 N  -0.2653000       1.886600      0.5862000    
 C    1.116200     -0.1039000     -7.2099999E-02
 C  -0.1714000      0.4205000      0.6283000    
 C    1.195800      0.2675000      -1.561900    
 C    2.377300      0.4183000      0.6430000    
 C   -1.468900     -0.1089000      2.1900000E-02
 H  -0.1621000      0.1378000       1.689600    
 H    1.179400       1.354600      -1.699200    
 H   0.3596000     -0.1471000      -2.135700    
 H    2.124200     -9.3599997E-02  -2.021300    
 H    3.294100     -1.6200000E-02  0.2255000    
 H    2.477500       1.504200      0.5371000    
 H    2.355800      0.1927000       1.715700    
 H   0.5273000       2.298800       1.075500    
 H   -1.093000       2.189200       1.099700    
 H    2.356500      -2.100600     -0.6095000    
 H   -2.741800      -1.568800      0.2416000    


%chk=000005852-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005852

0 1
S 1.059305 -2.020659 -0.065656
O -1.922566 -1.150807 0.981919
O -1.965080 0.185457 -0.918270
N -0.144785 1.890824 0.680224
C 1.182311 -0.082626 -0.091004
C -0.085382 0.419741 0.694884
C 1.199466 0.405885 -1.552555
C 2.451147 0.353876 0.665752
C -1.387633 -0.179368 0.132154
H 0.017106 0.073658 1.737538
H 1.258485 1.510547 -1.574706
H 0.300336 0.085898 -2.103381
H 2.091088 0.015712 -2.076033
H 3.358629 0.042215 0.117431
H 2.453333 1.454819 0.763895
H 2.488002 -0.094233 1.674053
H -0.546973 2.305229 1.524785
H -0.555185 2.272093 -0.179013
H 2.173409 -2.201751 -0.868907
H -2.747611 -1.535410 0.576092


