%chk=000089601.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089601

0 1
 S    2.987100     -0.1686000      0.1517000    
 O   -2.709200       1.294700     -0.3051000    
 O    3.704400      0.9685000      0.7109000    
 O    3.084600      -1.472100      0.7931000    
 O   -1.632500      -2.549100      0.5952000    
 O   -3.110900      -1.405300     -0.6981000    
 N    3.413100     -0.3340000      -1.494600    
 C    1.298800      0.2580000      1.6799999E-02
 C   0.3255000     -0.7409000      3.1000001E-03
 C   -1.022700     -0.3997000     -0.1049000    
 C   -1.397400      0.9407000     -0.1990000    
 C   0.9241000       1.598200     -7.7299997E-02
 C  -0.4241000       1.939600     -0.1851000    
 C   -2.023200      -1.457900     -0.1174000    
 C   -3.417400       1.527900      0.9105000    
 H   0.6278000      -1.783700      5.5900000E-02
 H    1.665500       2.392300     -7.5300001E-02
 H  -0.7084000       2.985800     -0.2602000    
 H    4.020900      0.3858000      -1.904500    
 H    3.595000      -1.281600      -1.847100    
 H   -3.393400      0.6424000       1.553400    
 H   -4.458700       1.751200      0.6625000    
 H   -2.992300       2.386500       1.440000    
 H   -2.311800      -3.256800      0.5808000    


%chk=000089601-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000089601

0 1
S 3.100510 -0.153602 0.059066
O -2.624009 1.773170 0.006620
O 3.981904 1.162161 0.442361
O 3.170179 -1.558776 0.879545
O -1.556515 -2.489354 0.679803
O -3.213331 -1.264937 -0.377402
N 3.509809 -0.531990 -1.698448
C 1.304979 0.374386 -0.015322
C 0.320089 -0.588638 0.186347
C -1.054272 -0.210545 0.143972
C -1.374603 1.179407 -0.032529
C 1.015714 1.732501 -0.259987
C -0.328648 2.121394 -0.259369
C -2.060739 -1.303952 0.122014
C -3.732495 1.248115 0.830703
H 0.583250 -1.634153 0.370075
H 1.822353 2.459086 -0.397952
H -0.617644 3.166516 -0.399192
H 4.314698 0.060376 -1.964788
H 3.711327 -1.543773 -1.770018
H -4.319621 0.516421 0.256864
H -4.330046 2.137754 1.081207
H -3.343351 0.778800 1.753365
H -2.234735 -3.208468 0.568364


