%chk=000089064.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089064

0 1
 S   -2.132200      -1.099000       1.564400    
 O   0.3273000      -2.391700      0.9387000    
 O   0.7481000       4.605300     -0.2390000    
 O    2.487500       3.324100     -0.6291000    
 N    2.439300      0.8509000     -0.2485000    
 N    1.301900       3.481600     -0.2565000    
 C   0.3313000     -2.5300000E-02  0.5857000    
 C    1.116800       1.060500      0.1637000    
 C    2.336600      -1.546400      0.1377000    
 C    3.052700     -0.4084000     -0.2695000    
 C   0.9285000      -1.386500      0.5864000    
 C  -0.9902000      0.1666000      0.9990000    
 C   0.5569000       2.342500      0.1625000    
 C   -1.533500       1.450800      0.9918000    
 C  -0.7628000       2.535800      0.5750000    
 C    2.934200      -2.809900      0.1231000    
 C    4.377800     -0.5569000     -0.6934000    
 C    4.255900      -2.941000     -0.3018000    
 C    4.975900      -1.818200     -0.7093000    
 C   -3.438400     -0.9341000      0.3601000    
 C   -3.165900      -1.128500     -0.9931000    
 C   -4.729600     -0.6116000      0.7745000    
 C   -4.187300     -0.9999000      -1.934400    
 C   -5.751000     -0.4833000     -0.1667000    
 C   -5.479800     -0.6773000      -1.521200    
 H    3.001400       1.632800     -0.5498000    
 H   -2.552000       1.650400       1.317800    
 H   -1.229500       3.517700      0.5895000    
 H    2.393600      -3.698900      0.4352000    
 H    4.953900      0.3077000      -1.014100    
 H    4.726100      -3.920100     -0.3158000    
 H    6.005200      -1.925200      -1.039700    
 H   -2.167700      -1.387100      -1.337700    
 H   -4.959600     -0.4560000       1.825600    
 H   -3.976600      -1.152500      -2.988900    
 H   -6.757600     -0.2318000      0.1547000    
 H   -6.275100     -0.5775000      -2.254000    


%chk=000089064-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000089064

0 1
S -1.942399 -1.731991 -0.168935
O 0.504448 -2.729873 0.044158
O 0.752553 4.519122 -0.372555
O 2.716752 3.381029 -0.165904
N 2.685225 0.785770 -0.013335
N 1.398619 3.406692 -0.259388
C 0.510689 -0.323821 -0.095188
C 1.312524 0.874016 -0.112389
C 2.654043 -1.644552 0.126125
C 3.379984 -0.418249 0.103883
C 1.178823 -1.639856 0.026772
C -0.915630 -0.217875 -0.196223
C 0.664675 2.155697 -0.233506
C -1.520826 1.063323 -0.315537
C -0.744082 2.223297 -0.334061
C 3.366592 -2.867067 0.244351
C 4.798398 -0.417365 0.199471
C 4.767212 -2.870428 0.338611
C 5.481124 -1.638829 0.315715
C -3.652547 -0.995736 -0.310094
C -4.253816 -0.874675 -1.583919
C -4.383893 -0.698738 0.862954
C -5.595394 -0.436461 -1.684014
C -5.724950 -0.260774 0.757039
C -6.330333 -0.128493 -0.515004
H 3.169015 1.707314 -0.034817
H -2.606452 1.146288 -0.394004
H -1.206487 3.209435 -0.426672
H 2.784140 -3.793855 0.258634
H 5.346321 0.531356 0.181316
H 5.312457 -3.815100 0.429637
H 6.574022 -1.640925 0.389035
H -3.680874 -1.123167 -2.483469
H -3.910721 -0.811753 1.844046
H -6.063216 -0.341572 -2.669919
H -6.293553 -0.029324 1.664250
H -7.370345 0.206741 -0.594167


