%chk=000033325.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033325

0 1
 S   0.7100000      0.6574000      -1.821900    
 O    1.481500       3.092800     -0.2227000    
 O    2.690600       1.562900       1.020500    
 N   -4.272600      0.2094000     -0.1935000    
 C   0.6487000      0.8890000     -1.8000000E-03
 C   0.9831000      -1.166700      -1.763300    
 C   0.9145000     -0.4631000      0.6078000    
 C    1.086700      -1.523700     -0.2977000    
 C  -0.7229000       1.441700      0.3838000    
 C   -1.844400      0.5335000     -0.1132000    
 C  -0.2128000      -1.849400      -2.434600    
 C    2.282000      -1.481300      -2.512200    
 C    1.730000       1.874800      0.3315000    
 C   0.9922000     -0.6977000       1.983300    
 C    1.332200      -2.813800      0.1807000    
 C   -3.210300       1.075000      0.3051000    
 C    1.239200      -1.987400       2.453300    
 C    1.408100      -3.042100       1.555000    
 C   -5.586000      0.7405000      0.1755000    
 C   -4.112600      -1.151700      0.3212000    
 C    2.462900       4.100000      4.3000001E-02
 H  -0.7951000       1.554300       1.474000    
 H  -0.8800000       2.448700     -2.5100000E-02
 H   -1.855500      0.4526000      -1.203800    
 H   -1.687900     -0.4630000      0.3067000    
 H  -7.1800001E-02  -2.936600      -2.469300    
 H   -1.151100      -1.676700      -1.897500    
 H  -0.3438000      -1.512500      -3.469800    
 H    2.483600      -2.559100      -2.522600    
 H    2.234300      -1.155500      -3.558100    
 H    3.150100     -0.9997000      -2.045500    
 H   0.8596000      0.1127000       2.694400    
 H    1.463500      -3.645100     -0.5058000    
 H   -3.255600       1.170600       1.398100    
 H   -3.331900       2.082000     -0.1139000    
 H    1.298900      -2.172000       3.522100    
 H    1.598700      -4.044600       1.927400    
 H   -5.720900       1.749600     -0.2300000    
 H   -5.724200      0.7835000       1.262000    
 H   -6.385200      0.1239000     -0.2508000    
 H   -3.289200      -1.680600     -0.1684000    
 H   -5.001900      -1.752200      9.2299998E-02
 H   -3.969200      -1.177100       1.407600    
 H    2.147500       5.021400     -0.4536000    
 H    3.434000       3.797800     -0.3605000    
 H    2.532100       4.286400       1.118900    


%chk=000033325-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000033325

0 1
S 0.532294 0.463837 -2.089026
O 1.299100 3.064267 -0.120947
O 2.862306 1.401424 0.321969
N -4.599483 0.368419 0.183068
C 0.501811 0.772567 -0.178524
C 1.357372 -1.281187 -1.927100
C 0.801599 -0.594393 0.432734
C 1.202166 -1.626679 -0.446236
C -0.860986 1.378793 0.246722
C -2.078011 0.462242 0.002284
C 0.594450 -2.243240 -2.863134
C 2.853454 -1.171514 -2.312239
C 1.684725 1.732647 0.052843
C 0.701876 -0.841965 1.820964
C 1.496720 -2.911033 0.069488
C -3.366791 1.102213 0.557977
C 0.992242 -2.124794 2.332901
C 1.387493 -3.161678 1.454717
C -5.813790 1.148925 0.495929
C -4.666634 -0.992216 0.753217
C 2.397810 4.056687 -0.046781
H -0.793597 1.627965 1.327406
H -0.995256 2.340572 -0.279156
H -2.204149 0.285552 -1.081424
H -1.899054 -0.520468 0.476592
H 1.041733 -3.254844 -2.820255
H -0.468191 -2.315635 -2.577227
H 0.653613 -1.897275 -3.910772
H 3.341523 -2.161789 -2.221292
H 2.962177 -0.826869 -3.355885
H 3.375335 -0.463706 -1.646994
H 0.401864 -0.037436 2.502148
H 1.809896 -3.715700 -0.605517
H -3.275520 1.206877 1.674631
H -3.458416 2.128297 0.149235
H 0.913819 -2.316861 3.408592
H 1.611604 -4.158755 1.849883
H -5.769312 2.127361 -0.015426
H -5.953187 1.338374 1.592276
H -6.707086 0.612102 0.128675
H -3.822920 -1.603036 0.391628
H -5.601158 -1.481081 0.424412
H -4.646879 -1.000581 1.874628
H 1.910825 5.026931 -0.218068
H 3.150980 3.845427 -0.824421
H 2.880735 4.020156 0.944106


