%chk=000004790.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004790

0 1
 S  -0.4690000     -0.4430000       1.624700    
 S   -3.346800     -0.2662000      0.8485000    
 S    2.988300     -0.1348000       2.038800    
 P    1.455900     -3.3300001E-02  0.8185000    
 O    1.620200     -0.9591000     -0.5178000    
 O    1.305100       1.437300      0.1186000    
 C    1.785600      -2.362000     -0.3988000    
 C    2.338600       1.958200     -0.7007000    
 C   -1.636300      7.7999998E-03  0.3159000    
 C   -4.187800      0.2775000     -0.6572000    
 C    1.912400      -2.962700      -1.782600    
 C    1.925500       3.323800      -1.207100    
 C   -5.691800      0.1564000     -0.5008000    
 H   0.9215000      -2.789800      0.1179000    
 H    2.687400      -2.582000      0.1794000    
 H    2.510900       1.283000      -1.544200    
 H    3.263100       2.045300     -0.1232000    
 H   -1.496900       1.063300      6.7599997E-02
 H   -1.423600     -0.5996000     -0.5679000    
 H   -3.923200       1.319400     -0.8632000    
 H   -3.855700     -0.3378000      -1.499200    
 H    2.041500      -4.047200      -1.727900    
 H    1.022100      -2.742400      -2.381000    
 H    2.767300      -2.530900      -2.313500    
 H    2.701100       3.755000      -1.846100    
 H   0.9935000       3.257100      -1.778200    
 H    1.737800       4.004600     -0.3703000    
 H   -5.995100     -0.8798000     -0.3165000    
 H   -6.062500      0.7794000      0.3203000    
 H   -6.189700      0.4882000      -1.418000    


%chk=000004790-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004790

0 1
S -1.226014 -1.469208 1.051661
S -3.695843 -0.831223 -0.753279
S 1.939334 -0.088205 2.408543
P 0.775507 -0.434946 0.738033
O 1.554103 -1.291729 -0.576863
O 0.226312 0.917252 -0.207139
C 2.407319 -2.465230 -0.235458
C 1.256079 1.903311 -0.665430
C -1.931634 -1.412488 -0.737591
C -3.404701 1.006681 -0.357464
C 3.014637 -2.948840 -1.549282
C 0.487888 3.027390 -1.352922
C -4.749939 1.682880 -0.064214
H 1.774823 -3.243815 0.234201
H 3.180756 -2.145780 0.488716
H 1.950515 1.390407 -1.356123
H 1.815808 2.265359 0.218115
H -1.284200 -0.746070 -1.324892
H -1.915185 -2.436302 -1.134943
H -2.727916 1.036302 0.512949
H -2.892773 1.458335 -1.223863
H 3.658720 -3.827634 -1.360824
H 2.226006 -3.240899 -2.263314
H 3.629908 -2.157654 -2.010381
H 1.196627 3.793729 -1.717850
H -0.081650 2.642567 -2.216208
H -0.214609 3.506582 -0.650221
H -5.435336 1.623019 -0.928673
H -5.247595 1.219617 0.805680
H -4.587548 2.752293 0.165035


