%chk=000170111.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170111

0 1
 S    1.362700     -0.2752000     -0.9609000    
 O   0.9023000      -1.360600      -1.808300    
 O    1.511000       1.057600      -1.515200    
 O   -3.214300      -2.186400     -0.3750000    
 O   -1.351700      -2.379300      0.9134000    
 N    2.872000     -0.7288000     -0.2678000    
 N   0.3393000     -0.2227000      0.4274000    
 C    3.613900      0.3040000      0.4958000    
 C    4.960900      0.5445000     -0.1702000    
 C    3.772500     -0.1658000       1.934300    
 C  -0.9107000      0.4816000      0.2964000    
 C   -2.112600     -0.2137000      0.2387000    
 C  -0.8895000       1.869700      0.2283000    
 C   -3.310700      0.4891000      0.1109000    
 C   -2.087600       2.572500      0.1006000    
 C   -3.298200       1.882100      4.1800000E-02
 C   -2.159300      -1.668500      0.3097000    
 H    3.061400       1.249800      0.5028000    
 H    3.008300      -1.704000      2.5800001E-02
 H    5.533800       1.305700      0.3693000    
 H    5.558800     -0.3732000     -0.2031000    
 H    4.827400      0.8876000      -1.201900    
 H    2.795100     -0.3342000       2.399300    
 H    4.307000      0.5803000       2.531400    
 H    4.330400      -1.107400       1.989100    
 H   0.2361000      -1.130800      0.8991000    
 H   4.3499999E-02   2.423000      0.2894000    
 H   -4.271700     -1.7600000E-02  7.6399997E-02
 H   -2.078300       3.657500      5.1500000E-02
 H   -4.231200       2.430000     -5.3500000E-02
 H   -3.239000      -3.165700     -0.3218000    


%chk=000170111-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170111

0 1
S 1.659222 0.413376 -1.220105
O 1.541857 -0.145863 -2.735689
O 1.972922 1.993381 -0.996097
O -3.131679 -1.907341 1.542888
O -0.872133 -2.031068 1.079358
N 2.784064 -0.742368 -0.319505
N 0.248771 -0.019872 -0.185111
C 3.531525 -0.147351 0.840674
C 4.717261 0.747974 0.417097
C 3.970397 -1.341663 1.717572
C -0.998466 0.612971 -0.218918
C -2.126274 -0.047641 0.395684
C -1.192447 1.894934 -0.809458
C -3.397850 0.592551 0.399272
C -2.463116 2.492860 -0.798177
C -3.575828 1.850311 -0.193617
C -1.958521 -1.371275 1.008844
H 2.794726 0.458508 1.401101
H 3.408146 -1.124476 -1.057905
H 5.226395 1.154428 1.309646
H 5.461510 0.164838 -0.159161
H 4.368913 1.595938 -0.196963
H 3.100713 -1.952557 2.010700
H 4.471198 -0.968610 2.629133
H 4.686179 -1.988397 1.176756
H 0.299721 -0.980906 0.216211
H -0.341355 2.418470 -1.254283
H -4.232792 0.071164 0.875456
H -2.587762 3.478383 -1.260430
H -4.558357 2.331385 -0.188717
H -2.925340 -2.800985 1.927444


