%chk=000003477.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003477

0 1
 S  -0.5167000      -1.205100       2.059100    
 S   -1.979800      0.2492000       2.025900    
 O    2.299700       2.436200      -1.051300    
 O  -0.5615000       2.204900     -0.6267000    
 O   -1.589100      -2.919800     -0.7973000    
 O   -2.828300       2.768300      0.7254000    
 N   0.1895000      3.4000002E-02 -0.2503000    
 N   -2.382200     -0.7339000     -0.5069000    
 C  -0.1460000      -1.294800      0.2695000    
 C    1.593300      0.1595000     -0.6440000    
 C    1.070000      -2.171700     -4.8400000E-02
 C   -2.134600      0.5422000      0.2050000    
 C    2.159000      -1.149300     -0.1424000    
 C  -0.7714000       1.040000     -0.3004000    
 C   -1.415200      -1.756000     -0.4418000    
 C    2.339000       1.389000     -8.0200002E-02
 C   -3.205200       1.618400     -5.5999998E-03
 C    3.409100      -1.272400      0.3211000    
 C    3.798300       1.116200      0.2030000    
 C   -3.611200     -0.9288000      -1.265300    
 C    4.283300     -0.1262000      0.3514000    
 H    1.596200      0.1665000      -1.741700    
 H   0.9714000      -2.660400      -1.025400    
 H    1.260800      -2.948000      0.6997000    
 H    1.865000       1.767700      0.8323000    
 H   -4.198900       1.300800      0.3286000    
 H   -3.282200       1.907700      -1.059100    
 H    3.773700      -2.205900      0.7344000    
 H    4.472300       1.963300      0.2967000    
 H   -4.466500     -0.8448000     -0.5900000    
 H   -3.630100      -1.918200      -1.730200    
 H   -3.670900     -0.1761000      -2.055500    
 H    5.333500     -0.2911000      0.5648000    
 H    2.736300       2.118100      -1.860400    
 H   -2.796500       2.523400       1.665800    


%chk=000003477-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003477

0 1
S -0.462030 -1.066656 2.120832
S -1.922724 0.728849 2.012086
O 2.477267 2.509100 -0.863679
O -0.254795 2.291662 -0.826644
O -1.727875 -2.811783 -0.746398
O -4.041858 2.056112 0.661493
N 0.329603 0.081308 -0.340865
N -2.387312 -0.568811 -0.476303
C -0.123224 -1.200361 0.190963
C 1.795338 0.115211 -0.651480
C 1.052463 -2.175363 -0.021609
C -1.990943 0.744403 0.018570
C 2.246882 -1.251169 -0.127686
C -0.558213 1.120089 -0.432193
C -1.466829 -1.627666 -0.401170
C 2.597516 1.302307 -0.053923
C -2.964075 1.900244 -0.310960
C 3.546393 -1.459507 0.209727
C 4.077106 0.942796 -0.010785
C -3.807916 -0.909688 -0.690213
C 4.511960 -0.343598 0.118042
H 1.918874 0.179183 -1.756515
H 0.854903 -2.743054 -0.953324
H 1.141037 -2.915013 0.790160
H 2.236855 1.483730 0.988146
H -3.342124 1.778227 -1.346378
H -2.395327 2.838845 -0.261943
H 3.886735 -2.436010 0.573122
H 4.763776 1.795289 -0.038734
H -4.360652 -0.908239 0.270489
H -3.839338 -1.930862 -1.100745
H -4.282267 -0.220531 -1.407336
H 5.582207 -0.562594 0.199146
H 1.497097 2.711820 -0.949162
H -4.624411 1.254631 0.675072


