%chk=000006205.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006205

0 1
 S    1.835700     -0.5224000      0.4693000    
 O  -0.8518000       1.773400      0.4039000    
 O   -2.703700       1.130000     -0.7341000    
 N   -2.740600      -1.185800      0.7614000    
 C  -0.6512000      -1.367800     -0.4998000    
 C   -1.446600     -0.5398000      0.5196000    
 C   0.6963000     -0.7758000     -0.9235000    
 C   -1.750700      0.8470000     -1.8800000E-02
 C    3.230700      0.1591000     -0.4556000    
 C    4.381900      0.4821000      0.4776000    
 H  -0.4869000      -2.377500     -9.9399999E-02
 H   -1.250600      -1.496600      -1.411900    
 H  -0.9263000     -0.4564000       1.479000    
 H   0.5440000      0.1784000      -1.437900    
 H    1.170800      -1.460600      -1.634700    
 H   -3.241500     -0.6828000       1.493300    
 H   -2.589300      -2.128300       1.119000    
 H    3.559200     -0.5684000      -1.204600    
 H    2.912200       1.069600     -0.9728000    
 H    4.095300       1.227200       1.227600    
 H    4.743300     -0.4128000      0.9958000    
 H    5.220400      0.8941000     -9.3699999E-02
 H   -1.060200       2.668300      6.0400002E-02


%chk=000006205-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000006205

0 1
S 2.182480 -1.453016 -0.403415
O -0.627415 1.834585 0.848759
O -1.724656 1.196814 -1.099073
N -2.142207 -0.931906 1.284548
C -0.696256 -1.562268 -0.627947
C -0.943937 -0.553529 0.507718
C 0.589995 -1.309000 -1.435669
C -1.131473 0.870061 -0.044867
C 2.658956 0.381350 -0.216877
C 4.006070 0.468877 0.515008
H -0.666890 -2.565222 -0.166694
H -1.556014 -1.536735 -1.329415
H -0.074908 -0.557026 1.187471
H 0.588747 -0.309245 -1.904974
H 0.688548 -2.058486 -2.238248
H -3.006940 -0.969943 0.735238
H -2.251782 -0.442167 2.177004
H 2.727841 0.812241 -1.231260
H 1.865060 0.901497 0.345648
H 3.942737 0.021496 1.523110
H 4.799586 -0.056640 -0.045420
H 4.308605 1.526420 0.629787
H -0.845745 2.746044 0.509667


