%chk=000004316.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004316

0 1
 S  -0.7101000       2.221500      0.5481000    
 S   -2.740700      0.1426000      0.8599000    
 S   -4.936600      -1.634600      0.1110000    
 O  -0.2790000       3.217100     -0.4146000    
 O   -1.165900       2.627900       1.863700    
 O    6.356500      -1.383000      0.2435000    
 O   -5.353900      -2.338600      -1.089100    
 O   -4.340100      -2.363000       1.217300    
 N   0.5099000       1.038200      0.7129000    
 N   -6.243000     -0.7060000      0.6969000    
 C    1.032500      0.3443000     -0.4655000    
 C   -2.018700       1.285500     -0.1843000    
 C    2.439600     -0.1124000     -0.2786000    
 C   -3.823500     -0.3613000     -0.3671000    
 C   -2.581600       1.288500      -1.434100    
 C   -3.631500      0.3314000      -1.542300    
 C    2.698200      -1.376800      0.2504000    
 C    3.497200      0.7255000     -0.6319000    
 C    4.014600      -1.803300      0.4261000    
 C    4.813700      0.2989000     -0.4565000    
 C    5.072300     -0.9655000      7.2700001E-02
 C    7.390200     -0.4767000     -0.1385000    
 H   0.9811000      0.9964000      -1.345600    
 H   0.3905000     -0.5176000     -0.6840000    
 H   0.4441000      0.4383000       1.546200    
 H   -2.262900       1.940300      -2.237000    
 H   -4.215000      0.1618000      -2.438000    
 H    1.882900      -2.038200      0.5317000    
 H    3.307700       1.713800      -1.043000    
 H    4.209900      -2.789300      0.8390000    
 H    5.587100      0.9997000     -0.7514000    
 H   -6.773300     -0.1575000      7.7999998E-03
 H   -6.849300      -1.147000       1.400200    
 H    7.367600      0.4369000      0.4651000    
 H    7.363000     -0.2652000      -1.212800    
 H    8.345400     -0.9713000      6.5899998E-02


%chk=000004316-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004316

0 1
S -0.721291 2.312051 0.056075
S -3.055645 0.350379 1.087214
S -5.460606 -1.588742 0.270022
O -0.508200 3.081886 -1.357842
O -0.980399 3.048127 1.476717
O 6.518345 -1.491072 0.241447
O -6.189166 -1.935198 -1.144648
O -4.878332 -2.745277 1.247058
N 0.761462 1.290886 0.289487
N -6.509481 -0.558822 1.358503
C 1.210243 0.451693 -0.852268
C -2.196863 1.177409 -0.257333
C 2.618528 -0.035119 -0.547711
C -4.121991 -0.376223 -0.158599
C -2.719717 0.918541 -1.512661
C -3.839193 0.013042 -1.456019
C 2.907063 -1.422727 -0.472371
C 3.670015 0.890667 -0.341134
C 4.213068 -1.876251 -0.211297
C 4.984481 0.453758 -0.075131
C 5.257127 -0.937941 -0.012381
C 7.636698 -0.568342 0.459543
H 1.190924 1.102475 -1.745361
H 0.539923 -0.414508 -1.038269
H 0.748879 0.852947 1.224447
H -2.327471 1.373540 -2.424771
H -4.408783 -0.339674 -2.318778
H 2.105458 -2.155791 -0.624309
H 3.450283 1.963252 -0.378142
H 4.448533 -2.943125 -0.155963
H 5.776325 1.192737 0.078245
H -7.209546 -0.040033 0.804171
H -6.917707 -1.167703 2.086404
H 7.461387 0.074185 1.343966
H 7.815553 0.064079 -0.431430
H 8.508995 -1.213807 0.637219


