%chk=000080819.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080819

0 1
 S   -4.160400      0.2081000     -0.2138000    
 O   -4.814100      0.3992000       1.272600    
 O   -4.367000       1.457400     -0.9320000    
 O   -4.643400      -1.050300     -0.7609000    
 N    1.666300     -0.4334000      0.7099000    
 N    3.788200     -0.7476000     -7.9999998E-04
 N    2.081700     -0.6849000      -1.643400    
 N    5.853900      0.2748000      0.3557000    
 N    4.094300       1.631300     -0.1732000    
 C   -2.446400      2.0099999E-02  5.9400000E-02
 C   -1.907800      -1.251200      0.2582000    
 C   -1.615400       1.140200      7.6899998E-02
 C   0.2870000     -0.2815000      0.4908000    
 C  -0.5381000      -1.402200      0.4744000    
 C  -0.2457000      0.9890000      0.2930000    
 C    2.451500     -0.6079000     -0.3170000    
 C    4.515300      0.3390000      5.0400000E-02
 H   -2.535900      -2.137500      0.2566000    
 H   -2.013700       2.140300     -6.8800002E-02
 H  -0.1269000      -2.395900      0.6306000    
 H   0.3946000       1.867000      0.3070000    
 H   -4.506000       1.192300       1.771100    
 H    2.776900     -0.8314000      -2.367400    
 H    1.117000     -0.5984000      -1.943100    
 H    6.305900     -0.6129000      0.5460000    
 H    6.428400       1.109400      0.3984000    
 H    3.132200       1.848800     -0.4087000    
 H    4.739500       2.411300     -0.1095000    


%chk=000080819-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080819

0 1
S -4.249688 0.216239 0.088789
O -4.390192 0.505129 1.928815
O -4.873292 1.506962 -0.665282
O -4.820877 -1.268260 -0.223258
N 1.799833 0.357005 -0.221495
N 4.005368 -0.538409 -0.596714
N 2.214062 -1.581262 -1.600055
N 5.982285 0.308341 0.262036
N 3.954678 1.434874 0.772227
C -2.400770 0.236631 -0.004809
C -1.709228 -0.975830 0.166695
C -1.755585 1.464411 -0.247175
C 0.403081 0.259638 -0.193551
C -0.306478 -0.961152 0.064724
C -0.354249 1.465229 -0.339992
C 2.631803 -0.556193 -0.766498
C 4.610159 0.408702 0.149833
H -2.255850 -1.902926 0.367072
H -2.338335 2.381740 -0.377019
H 0.252890 -1.887173 0.233790
H 0.187919 2.396341 -0.530838
H -5.367060 0.512088 2.150196
H 2.935255 -2.164853 -2.017346
H 1.246244 -1.662786 -1.901535
H 6.428000 -0.466986 -0.221919
H 6.538649 0.953482 0.815124
H 2.912341 1.398780 0.607173
H 4.430936 2.153339 1.313413


