%chk=000008574.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000008574

0 1
 S    4.639200       1.020200     -0.2168000    
 O    4.917800       1.879600      -1.360000    
 O    5.203200       1.350400       1.084900    
 O   -2.037900      0.9630000      -1.723900    
 O    5.149200      -1.506100       1.545700    
 O   -3.981400      -3.032100      9.1899998E-02
 O   -2.675300      -1.927600      -1.405000    
 N   -1.235500      0.5347000      0.4389000    
 N    5.079300     -0.5884000     -0.6149000    
 C    2.910000      0.8775000     -2.3499999E-02
 C   0.1676000      0.6509000      0.2826000    
 C    2.067600       1.069100      -1.118800    
 C    2.370600      0.5715000       1.226000    
 C   0.6860000      0.9550000     -0.9645000    
 C   0.9890000      0.4574000       1.380200    
 C   -3.604500      0.5345000     -5.8600001E-02
 C   -2.234600      0.6894000     -0.5304000    
 C   -4.235600     -0.7095000     -6.1200000E-02
 C   -4.285800       1.661100      0.4024000    
 C   -5.547800     -0.8268000      0.3974000    
 C   -5.598000       1.543700      0.8608000    
 C    5.298300      -1.635300      0.3358000    
 C   -6.229100      0.2998000      0.8582000    
 C   -3.550700      -1.904900     -0.5359000    
 C    5.738300      -2.927200     -0.2912000    
 H    2.468400       1.301600      -2.101500    
 H    3.006100      0.4138000       2.092800    
 H   0.1027000       1.115600      -1.858600    
 H   0.5788000      0.2176000       2.357200    
 H   -1.544900      0.3130000       1.383400    
 H    5.256500     -0.7865000      -1.608200    
 H   -3.805200       2.636200      0.4094000    
 H   -6.072400      -1.778700      0.3961000    
 H   -6.128700       2.421000       1.219000    
 H   -7.251900      0.2095000       1.212200    
 H    6.684400      -2.778000     -0.8184000    
 H    5.879700      -3.684600      0.4846000    
 H    4.975100      -3.275900     -0.9921000    
 H   -3.515200      -3.831800     -0.2329000    


%chk=000008574-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000008574

0 1
S 4.780504 0.945489 0.347794
O 5.173363 2.225458 -0.576026
O 5.343435 0.793812 1.854472
O -1.961662 1.708710 -1.319768
O 4.589937 -2.194640 0.552000
O -4.404537 -2.800854 1.456444
O -2.428880 -1.675381 1.712145
N -1.251184 0.292564 0.394362
N 5.456873 -0.445724 -0.714970
C 2.920839 0.713590 0.320442
C 0.149350 0.477332 0.313977
C 2.188428 1.483564 -0.596557
C 2.336066 -0.171800 1.242188
C 0.783909 1.364426 -0.602943
C 0.936125 -0.282736 1.231145
C -3.703810 0.555126 -0.100120
C -2.227373 0.878472 -0.390656
C -4.325952 -0.566659 0.564760
C -4.566814 1.530264 -0.671775
C -5.750391 -0.654059 0.600677
C -5.969385 1.444171 -0.599619
C 5.317761 -1.792938 -0.398919
C -6.570570 0.338015 0.038636
C -3.613585 -1.672793 1.264948
C 6.116428 -2.738670 -1.296663
H 2.700214 2.172643 -1.275970
H 2.955818 -0.759954 1.923157
H 0.173223 1.941100 -1.298203
H 0.443920 -0.968179 1.929755
H -1.576974 -0.411479 1.090680
H 6.084156 -0.087892 -1.445065
H -4.086133 2.356973 -1.202467
H -6.200213 -1.521225 1.089280
H -6.585254 2.231312 -1.046944
H -7.659711 0.245700 0.095599
H 6.992490 -3.105252 -0.732060
H 5.484482 -3.607521 -1.541711
H 6.468453 -2.268354 -2.229772
H -3.880048 -3.479912 1.960842


