%chk=000023799.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023799

0 1
 S    1.810800       1.426500       2.036700    
 O   -4.160400      -1.611200      0.6113000    
 O   8.3899997E-02  0.8601000      -2.458200    
 N   -2.264500      0.4012000     -6.5300003E-02
 C   -2.229000     -0.9289000     -0.6891000    
 C   -3.641800      0.7406000      0.3186000    
 C   -1.712800       1.411500     -0.9657000    
 C   -2.820900      -1.963900      0.2632000    
 C   -4.199500     -0.3336000       1.247900    
 C  -0.2677000       1.061300      -1.294900    
 C   0.7071000      0.9684000     -0.1914000    
 C    1.840800      0.1198000     -0.1942000    
 C    2.557200      0.2710000      0.9971000    
 C   0.5538000       1.725100      0.9249000    
 C    2.327700     -0.7978000      -1.156200    
 C    3.733400     -0.4627000       1.247300    
 C    3.493800      -1.527600     -0.9108000    
 C    4.188000      -1.359800      0.2788000    
 H   -1.208000      -1.246800     -0.9235000    
 H   -2.805300     -0.9255000      -1.623800    
 H   -4.277300      0.8176000     -0.5732000    
 H   -3.664400       1.706000      0.8368000    
 H   -2.277700       1.461200      -1.905700    
 H   -1.742100       2.413700     -0.5240000    
 H   -2.851700      -2.944100     -0.2235000    
 H   -2.219800      -2.065100       1.175200    
 H   -3.645000     -0.3784000       2.193300    
 H   -5.244800     -0.1131000       1.487400    
 H  -0.2094000       2.449000       1.172400    
 H    1.802900     -0.9576000      -2.094200    
 H    4.283000     -0.3383000       2.176000    
 H    3.856200      -2.230400      -1.655800    
 H    5.093800      -1.931900      0.4609000    


%chk=000023799-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000023799

0 1
S 1.539943 0.109335 2.381445
O -4.777895 -1.068096 0.916351
O 0.231601 0.281159 -2.512196
N -2.439262 0.325371 -0.102326
C -2.690118 -1.106510 -0.429811
C -3.728115 1.037161 0.124296
C -1.622171 0.999680 -1.139648
C -3.499983 -1.766383 0.697050
C -4.519735 0.342476 1.244318
C -0.185819 0.460268 -1.324917
C 0.701172 0.251796 -0.154866
C 2.127635 -0.093652 -0.242720
C 2.739941 -0.206693 1.044859
C 0.265396 0.386327 1.159945
C 2.937368 -0.311612 -1.391961
C 4.101158 -0.521726 1.218875
C 4.300030 -0.628014 -1.229430
C 4.882157 -0.733318 0.062389
H -1.720780 -1.627289 -0.540041
H -3.245157 -1.204601 -1.394835
H -4.350330 1.056671 -0.804558
H -3.514947 2.083946 0.414612
H -2.091189 0.950818 -2.150891
H -1.539221 2.070864 -0.862749
H -3.770472 -2.802315 0.435807
H -2.904952 -1.763351 1.636187
H -3.953432 0.408331 2.199321
H -5.512681 0.803872 1.372402
H -0.761718 0.588680 1.465374
H 2.481022 -0.229820 -2.380895
H 4.544370 -0.600960 2.216543
H 4.922101 -0.796069 -2.115268
H 5.944381 -0.980048 0.165637


