%chk=000170737.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170737

0 1
 S    1.537800       1.780400       1.060500    
 O   -4.605100      0.3363000      -1.115300    
 O   -4.160300      -1.558800     -0.1005000    
 N   -2.005600      -1.989300       1.064700    
 N   -3.837800     -0.3999000     -0.4521000    
 C  -5.7000000E-02   1.122800      0.6127000    
 C   -1.665100     -0.6798000      0.6553000    
 C   -2.555600      9.7099997E-02 -8.5800000E-02
 C  -0.4158000     -0.1670000       1.004600    
 C  -0.9476000       1.899600     -0.1285000    
 C   -2.196900       1.386800     -0.4777000    
 C    2.632500      0.6079000      0.2734000    
 C    2.582100      0.4318000      -1.107200    
 C    3.532200     -0.1251000       1.043200    
 C    3.436600     -0.4834000      -1.721800    
 C    4.386800      -1.040200      0.4285000    
 C    4.338900      -1.219300     -0.9540000    
 H   0.2697000     -0.7778000       1.588900    
 H  -0.6850000       2.906900     -0.4428000    
 H   -2.861800       2.024100      -1.055100    
 H    1.891600      0.9990000      -1.726400    
 H    3.582700      8.9999998E-04   2.121800    
 H    3.400500     -0.6220000      -2.798400    
 H    5.089400      -1.613500       1.026100    
 H   -2.893800      -2.408200      0.8350000    
 H   -1.337100      -2.528300       1.600200    
 H    5.004500      -1.931700      -1.432600    


%chk=000170737-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170737

0 1
S 1.524422 2.056158 -0.165748
O -5.055943 0.608698 0.438496
O -4.324560 -1.550179 0.458060
N -1.757299 -2.062604 0.263089
N -4.093298 -0.255258 0.390530
C -0.119096 1.257219 0.001582
C -1.607912 -0.698289 0.199543
C -2.727135 0.211481 0.259251
C -0.301551 -0.127806 0.068866
C -1.236418 2.148512 0.061929
C -2.519065 1.617191 0.189233
C 2.674748 0.612608 -0.232065
C 3.019224 0.052302 -1.483814
C 3.253239 0.124421 0.962145
C 3.948531 -1.012899 -1.537832
C 4.181905 -0.941144 0.900806
C 4.529382 -1.509755 -0.347189
H 0.558999 -0.803473 0.021499
H -1.087012 3.230898 0.008153
H -3.398490 2.264478 0.238131
H 2.568223 0.447795 -2.399443
H 2.981883 0.574639 1.922262
H 4.219529 -1.446983 -2.506213
H 4.633985 -1.319573 1.823895
H -2.714275 -2.426076 0.356149
H -0.943786 -2.671604 0.217510
H 5.252571 -2.331456 -0.392125


