%chk=000017571.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017571

0 1
 S    1.320500      -2.118900       1.724000    
 P    1.120000      -1.401000     -7.7200003E-02
 O   0.2213000     -7.0200004E-02 -0.2992000    
 O    2.506100     -0.9956000     -0.8193000    
 O   -5.921800     -0.2740000      0.9439000    
 O   -5.887200       1.320700     -0.5704000    
 N   -5.306300      0.4650000      0.1391000    
 C   -1.129200      6.0500000E-02 -0.1922000    
 C   0.4647000      -2.536000      -1.313800    
 C    3.460000     -0.1335000     -0.3486000    
 C   -1.840000     -0.7481000      0.6947000    
 C   -1.802400       1.003000     -0.9693000    
 C   -3.897300      0.3286000      2.7300000E-02
 C   -3.224100     -0.6141000      0.8044000    
 C   -3.186500       1.137000     -0.8595000    
 C    3.088000      0.9227000      0.4760000    
 C    4.792300     -0.3218000     -0.7001000    
 C    4.059900       1.801100      0.9550000    
 C    5.764200      0.5566000     -0.2211000    
 C    5.398000       1.618000      0.6065000    
 H    1.113100      -3.412400      -1.404400    
 H  -0.5376000      -2.877900      -1.041900    
 H   0.4104000      -2.046700      -2.290800    
 H   -1.365800      -1.493400       1.315800    
 H   -1.253300       1.635100      -1.661900    
 H   -3.745200      -1.261400       1.505300    
 H   -3.676800       1.881900      -1.481000    
 H    2.059400       1.101900      0.7648000    
 H    5.081700      -1.147300      -1.344300    
 H    3.775000       2.628600       1.598300    
 H    6.806100      0.4142000     -0.4925000    
 H    6.154800       2.302100      0.9792000    


%chk=000017571-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000017571

0 1
S 1.197604 -2.672548 1.466547
P 1.167562 -2.298006 -0.555103
O -0.373948 -1.717517 -1.250699
O 2.342838 -1.145589 -1.184365
O -4.681198 1.642948 2.064288
O -4.258862 3.075427 0.339058
N -4.069241 1.965461 0.973183
C -1.248720 -0.803855 -0.637210
C 1.440721 -3.650348 -1.779387
C 2.885350 -0.060993 -0.438179
C -1.936263 -1.130246 0.559287
C -1.476838 0.426047 -1.303621
C -3.089059 1.005240 0.414919
C -2.863916 -0.214983 1.090667
C -2.410097 1.338064 -0.779820
C 2.072416 0.834126 0.291076
C 4.283480 0.113553 -0.520190
C 2.681238 1.926598 0.948348
C 4.875849 1.217783 0.130899
C 4.079007 2.124260 0.869092
H 2.423693 -4.106198 -1.590759
H 0.644298 -4.400221 -1.665146
H 1.409134 -3.210765 -2.787623
H -1.743413 -2.084823 1.055298
H -0.927096 0.640419 -2.224502
H -3.415360 -0.429699 2.009568
H -2.617788 2.292888 -1.269187
H 0.988651 0.689817 0.346361
H 4.880487 -0.603791 -1.091234
H 2.059063 2.623068 1.520460
H 5.959454 1.363624 0.065778
H 4.542956 2.974959 1.378994


