%chk=000051674.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051674

0 1
 S   0.6750000      -2.256400       1.049100    
 S    3.052400     -0.4527000      0.9543000    
 P  -0.8251000      -2.990000     -0.2205000    
 O   -1.807800      -1.806400     -0.7276000    
 O  -0.2191000      -3.737900      -1.378600    
 O    5.561900       1.957200     -0.9255000    
 O    5.459500       1.265300       1.269900    
 C   -4.095600      0.9600000      0.3815000    
 C   -3.337300      2.9899999E-02 -0.5642000    
 C   -4.980700       1.977000     -0.3445000    
 C   -2.497700     -0.9831000      0.2027000    
 C   -5.720400       2.923800      0.6014000    
 C   -6.639500       3.864600     -0.1632000    
 C   -1.901300      -4.059700      0.7343000    
 C    1.701900      -1.196100      1.6000000E-03
 C    3.824500      0.5023000     -0.3731000    
 C    5.027100       1.263100      0.1258000    
 C    6.722300       2.739100     -0.6235000    
 H   -4.720900      0.3607000       1.055000    
 H   -3.376400       1.497300       1.012200    
 H   -4.040200     -0.5008000      -1.218300    
 H   -2.689300      0.6135000      -1.229700    
 H   -4.361900       2.565800      -1.033000    
 H   -5.710300       1.435900     -0.9599000    
 H   -1.771800     -0.4692000      0.8397000    
 H   -3.144100      -1.602600      0.8306000    
 H   -6.314800       2.344000       1.316900    
 H   -4.997300       3.510600       1.179300    
 H   -7.395900       3.305500     -0.7234000    
 H   -6.072100       4.478700     -0.8697000    
 H   -7.157200       4.534700      0.5303000    
 H   -2.275400      -3.559100       1.631100    
 H   -1.354500      -4.952500       1.051700    
 H   -2.754800      -4.377600      0.1291000    
 H    1.073000     -0.4079000     -0.4211000    
 H    2.114600      -1.799400     -0.8115000    
 H    4.148700     -0.1824000      -1.162400    
 H    3.097500       1.219200     -0.7656000    
 H    6.481300       3.501200      0.1237000    
 H    7.044700       3.237300      -1.541700    
 H    7.532400       2.093600     -0.2710000    


%chk=000051674-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051674

0 1
S 0.884315 1.283492 1.042608
S 3.719648 2.312713 0.003741
P 0.307829 -0.485119 -0.363118
O -1.394440 -0.363280 -0.719405
O 1.183045 -0.475261 -1.701776
O 5.797780 -1.147077 -0.269177
O 6.472529 1.080434 -0.422375
C -4.775823 0.961704 0.465516
C -3.673778 0.415261 -0.473216
C -6.109165 1.222100 -0.271600
C -2.359643 0.179162 0.273630
C -7.221177 1.759104 0.658376
C -8.550541 2.017122 -0.083245
C 0.466200 -2.010424 0.695302
C 1.881041 2.241502 -0.284797
C 4.068476 0.479797 -0.263743
C 5.562373 0.230682 -0.327026
C 7.221854 -1.554669 -0.366955
H -4.952270 0.243136 1.293200
H -4.430021 1.904900 0.937448
H -4.003524 -0.536499 -0.931380
H -3.490162 1.126059 -1.300792
H -5.938922 1.946424 -1.094880
H -6.454762 0.282319 -0.750249
H -1.959991 1.121340 0.698792
H -2.498637 -0.555982 1.093929
H -7.389265 1.034448 1.481197
H -6.874718 2.698028 1.136595
H -8.934064 1.087641 -0.544805
H -8.415716 2.760830 -0.891171
H -9.328917 2.400252 0.601819
H -0.124752 -1.891134 1.617026
H 1.526584 -2.156814 0.951880
H 0.095809 -2.871992 0.116971
H 1.518548 3.278729 -0.264661
H 1.664459 1.761073 -1.254555
H 3.630196 -0.096363 0.568684
H 3.580947 0.147829 -1.197892
H 7.650966 -1.212827 -1.323670
H 7.202926 -2.651760 -0.309679
H 7.800165 -1.120380 0.465655


