%chk=000005225.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005225

0 1
 S    2.869400       1.905200       1.098700    
 O   -2.938800       1.596600      0.1263000    
 O   -2.620900     -0.6099000     -0.5598000    
 O    3.071700       2.067000       2.533600    
 O    3.441700       2.893300      0.1926000    
 O    2.254800      -1.960800       1.485700    
 O   -1.559400      -3.602300      0.7898000    
 O   1.0900000E-02  -3.398000       2.411000    
 N    3.414700      0.3321000      0.6555000    
 N   0.3340000      -2.488500      0.2816000    
 C   -4.866900      0.3612000     -0.5747000    
 C   -5.226500       1.443200      -1.601400    
 C   -5.320500      -1.019200      -1.067700    
 C   -5.577300      0.6755000      0.7519000    
 C   -3.350000      0.3524000     -0.3502000    
 C    1.149400       1.813600      0.8113000    
 C   -1.563200       1.669900      0.3569000    
 C    3.037400     -0.1763000     -0.6357000    
 C   0.6322000       2.155600     -0.4383000    
 C   0.2924000       1.398700       1.830900    
 C  -0.7416000       2.082900     -0.6683000    
 C   -1.081400       1.325900       1.600700    
 C    2.167800      -1.256400     -0.7480000    
 C    3.559600      0.4316000      -1.773000    
 C    1.816600      -1.733500      -2.010900    
 C    3.208400     -4.5499999E-02  -3.035700    
 C    2.337000      -1.127900      -3.154700    
 C    1.606500      -1.909500      0.4276000    
 C  -0.3583000      -3.177300       1.264300    
 H   -4.966500       2.446800      -1.246300    
 H   -4.687500       1.282700      -2.542300    
 H   -6.299500       1.437600      -1.822900    
 H   -4.834100      -1.280100      -2.014700    
 H   -6.403600      -1.046900      -1.230600    
 H   -5.069900      -1.803300     -0.3438000    
 H   -5.286900     -3.9200000E-02   1.530700    
 H   -5.326200       1.676100       1.121700    
 H   -6.666300      0.6288000      0.6394000    
 H    3.452500     -0.3633000       1.410900    
 H    1.278400       2.484700      -1.246900    
 H   0.6732000       1.118700       2.808900    
 H   -1.144300       2.349700      -1.640300    
 H   -1.748300       1.000900       2.393000    
 H    4.255000       1.262700      -1.701600    
 H    1.169000      -2.594200      -2.150200    
 H    3.618200      0.4220000      -3.926300    
 H    2.070700      -1.504400      -4.138100    
 H  -0.1603000      -2.381000     -0.5990000    
 H   -2.068400      -4.091900       1.470600    


%chk=000005225-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005225

0 1
S 3.213041 1.940269 1.081329
O -2.731880 1.444433 0.087336
O -2.127420 -0.557472 -0.946849
O 3.621936 2.025228 2.645916
O 3.856336 2.899422 -0.057595
O 1.868139 -1.769535 1.679760
O -2.225139 -2.663669 1.431722
O -0.312335 -3.527169 2.467428
N 3.535842 0.093770 0.548815
N -0.193282 -2.054472 0.592175
C -4.536003 0.061805 -0.794744
C -5.120044 1.308417 -1.519372
C -4.784355 -1.220057 -1.625409
C -5.180262 -0.079839 0.619130
C -3.027170 0.236017 -0.598741
C 1.329713 2.027112 0.887399
C -1.351751 1.700757 0.381826
C 2.867971 -0.276576 -0.643612
C 0.823944 2.506835 -0.332153
C 0.533238 1.457735 1.895502
C -0.554232 2.340012 -0.587733
C -0.844569 1.296101 1.633940
C 1.726399 -1.161092 -0.663657
C 3.350426 0.260722 -1.869473
C 1.154892 -1.518666 -1.912441
C 2.747464 -0.089312 -3.091947
C 1.655755 -0.992739 -3.119093
C 1.177049 -1.693269 0.618006
C -0.820804 -2.811084 1.586190
H -4.937555 2.229225 -0.941211
H -4.680159 1.430919 -2.525956
H -6.210584 1.177845 -1.639021
H -4.325236 -1.145842 -2.626823
H -5.871695 -1.369215 -1.750754
H -4.360965 -2.107175 -1.123936
H -4.749513 -0.938716 1.164856
H -5.028567 0.833606 1.218253
H -6.265644 -0.250552 0.504189
H 3.247882 -0.482284 1.371920
H 1.495222 2.968251 -1.063017
H 0.975567 1.121134 2.838747
H -0.994895 2.664403 -1.534789
H -1.506830 0.832494 2.370728
H 4.213687 0.931335 -1.834092
H 0.324371 -2.232062 -1.940460
H 3.144489 0.319831 -4.027192
H 1.208295 -1.290478 -4.072694
H -0.816355 -1.607415 -0.103997
H -2.659512 -3.262986 2.093795


