%chk=000047306.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047306

0 1
 S   -1.240500      -1.462400     -0.1593000    
 S    1.803100      -1.396300     -0.1497000    
 O    5.216300      0.6164000      6.7599997E-02
 O    4.776100      -1.632200     -0.1758000    
 N   -1.197500       1.083800      0.1233000    
 N   0.1287000      0.6901000      8.2099997E-02
 C   -3.454600      0.1254000      1.2200000E-02
 C   -2.013500      5.8899999E-02  7.7999998E-03
 C   -4.097500       1.330400     -0.2713000    
 C   -4.204900      -1.014500      0.3009000    
 C    2.968500     -2.9000000E-03  3.8999999E-03
 C   -5.491100       1.395400     -0.2665000    
 C   -5.598400     -0.9494000      0.3059000    
 C   0.2463000     -0.6126000     -6.2199999E-02
 C   -6.241600      0.2555000      2.1900000E-02
 C    6.621200      0.3436000      3.4400001E-02
 C    4.399500     -0.4754000     -4.9100000E-02
 C    7.379900       1.646100      0.1741000    
 H   -3.534200       2.231400     -0.5018000    
 H   -3.765100      -1.974400      0.5538000    
 H    2.799400      0.6943000     -0.8224000    
 H    2.800400      0.4969000      0.9628000    
 H   -5.992000       2.333400     -0.4877000    
 H   -6.183500      -1.835000      0.5361000    
 H    6.882300     -0.3274000      0.8603000    
 H    6.877800     -0.1340000     -0.9178000    
 H   -7.326500      0.3063000      2.6900001E-02
 H    8.459600       1.474000      0.1527000    
 H    7.115300       2.334900     -0.6350000    
 H    7.119800       2.144700       1.113800    


%chk=000047306-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047306

0 1
S -1.213376 -1.741649 0.119375
S 1.916737 -1.598615 0.121494
O 5.258758 0.655938 0.034474
O 4.875860 -1.645982 0.120120
N -1.194359 0.933052 -0.015624
N 0.156751 0.559091 0.008221
C -3.511580 0.050447 0.018494
C -2.052623 -0.087978 0.032705
C -4.081686 1.354260 -0.060562
C -4.372751 -1.078761 0.080571
C 2.991850 -0.041010 0.054554
C -5.480091 1.515332 -0.077247
C -5.772551 -0.910345 0.063469
C 0.327129 -0.765249 0.075392
C -6.332383 0.386052 -0.015589
C 6.739416 0.404997 0.046339
C 4.448319 -0.471074 0.074716
C 7.415281 1.770187 0.006447
H -3.411394 2.217841 -0.107955
H -3.950976 -2.089267 0.142572
H 2.751677 0.523332 -0.859960
H 2.750514 0.601359 0.915732
H -5.908374 2.521631 -0.138670
H -6.425262 -1.788458 0.111783
H 6.981167 -0.166399 0.960453
H 6.986046 -0.221108 -0.829836
H -7.420061 0.515367 -0.028961
H 8.512914 1.641245 0.013675
H 7.136881 2.323049 -0.906713
H 7.131467 2.377714 0.882434


