%chk=000004229.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004229

0 1
 S  -0.6307000      -1.566800       1.252500    
 O  -0.7214000      -1.379300       2.685200    
 O  -0.5136000      -2.891900      0.6811000    
 O    3.298800      -1.394000      0.1862000    
 O    3.234500      -3.955200     -0.6854000    
 O   -5.303800       1.060900      -1.204000    
 N   0.6250000     -0.5821000      0.6372000    
 N    2.170100      -3.076300     -0.9282000    
 C    1.146100     -0.9233000     -0.7182000    
 C    1.552300      0.2807000      -1.570900    
 C   0.5614000      0.8623000      0.9973000    
 C    2.241200       1.354700     -0.7745000    
 C    1.748300       1.642300      0.5060000    
 C    2.322300      -1.806500     -0.4362000    
 C    3.308400       2.093100      -1.293200    
 C    2.325600       2.667500       1.260300    
 C   -2.029800     -0.7804000      0.5166000    
 C    3.890600       3.105100     -0.5301000    
 C    3.400100       3.391800      0.7438000    
 C   -2.664700      0.2469000       1.195400    
 C   -2.469600      -1.203300     -0.7272000    
 C   -3.770200      0.8684000      0.6146000    
 C   -3.575100     -0.5818000      -1.307900    
 C   -4.225400      0.4541000     -0.6371000    
 C   -5.920500       2.113000     -0.4635000    
 H   0.3952000      -1.475800      -1.292500    
 H   0.6557000      0.7290000      -2.018800    
 H    2.193700     -4.8900001E-02  -2.397800    
 H   0.5011000      0.9465000       2.088200    
 H  -0.3213000       1.333200      0.5560000    
 H    3.690700       1.887000      -2.289100    
 H    1.943600       2.909200       2.248400    
 H    4.722900       3.675900     -0.9315000    
 H    3.851200       4.185700       1.332100    
 H   -2.325100      0.5853000       2.169600    
 H   -1.979500      -2.007600      -1.266700    
 H    1.340700      -3.462200      -1.365300    
 H   -4.227200       1.666300       1.189800    
 H   -3.925200     -0.9086000      -2.283300    
 H    2.746000      -4.780000     -0.5240000    
 H   -6.337600       1.749200      0.4816000    
 H   -6.760000       2.481000      -1.062500    
 H   -5.237500       2.956900     -0.3182000    


%chk=000004229-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000004229

0 1
S -0.709555 -1.156227 1.465208
O -0.817621 -0.630438 2.999267
O -0.453566 -2.729198 1.090246
O 2.620988 -1.429182 -2.241698
O 2.699100 -3.733302 -0.922055
O -5.769226 0.347565 -1.493409
N 0.816734 -0.311225 0.742643
N 1.868074 -2.657289 -0.463870
C 0.902785 -0.391420 -0.757751
C 1.363551 0.960343 -1.375917
C 1.044999 1.033719 1.371018
C 2.508323 1.556713 -0.581842
C 2.351464 1.580134 0.828741
C 1.871707 -1.516702 -1.198217
C 3.691804 2.061563 -1.161041
C 3.371452 2.099354 1.654054
C -2.278710 -0.657549 0.554822
C 4.707060 2.601345 -0.337413
C 4.547873 2.621365 1.068238
C -2.979399 0.470845 1.012007
C -2.714722 -1.450459 -0.527420
C -4.165214 0.843829 0.344153
C -3.894476 -1.074545 -1.190214
C -4.617133 0.073221 -0.761905
C -6.587376 1.501184 -1.094531
H -0.094118 -0.631916 -1.188427
H 0.497951 1.653693 -1.384778
H 1.658895 0.764138 -2.419279
H 1.079186 0.893334 2.462079
H 0.217157 1.742916 1.135054
H 3.825911 2.017745 -2.247472
H 3.252236 2.093853 2.743721
H 5.626020 2.992038 -0.788197
H 5.341332 3.028829 1.704189
H -2.628632 1.023997 1.889477
H -2.165250 -2.354093 -0.810122
H 1.223101 -2.902202 0.308981
H -4.725495 1.714047 0.696505
H -4.283272 -1.655200 -2.031217
H 3.134559 -3.308902 -1.732283
H -6.970473 1.379898 -0.063723
H -7.426208 1.511989 -1.804414
H -6.014518 2.444191 -1.177408


