%chk=000005323.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005323

0 1
 S   -1.270400      -2.210100     -0.5464000    
 O   -2.240200      -2.868800      -1.413500    
 O  -0.7741000      -2.925500      0.6228000    
 O    2.134600       2.620700      -1.305600    
 O    3.389600     -0.7487000       1.617600    
 N   5.8400001E-02  -1.702600      -1.518600    
 N    1.738900      -1.222000      6.4700000E-02
 N   -3.638800       2.943900       1.237200    
 N    2.777900      0.9498000      0.1681000    
 C   -1.966700     -0.6973000     -2.2100000E-02
 C   -2.960100     -8.5000001E-02 -0.7863000    
 C   -1.528700     -0.1004000       1.159900    
 C   0.9905000     -0.7641000     -0.9542000    
 C   -3.077800       1.721100      0.8141000    
 C   -3.515700       1.124100     -0.3681000    
 C   -2.084400       1.108800       1.578000    
 C    1.067100      0.5091000      -1.466600    
 C    1.990700       1.334100     -0.8581000    
 C    2.602400     -0.3224000      0.5732000    
 C    3.101400       3.425800     -0.6412000    
 C    3.205300      -2.090600       2.045000    
 H  -0.1679000      -1.527100      -2.506700    
 H   -3.311000     -0.5273000      -1.714300    
 H  -0.7557000     -0.5582000       1.770600    
 H   -4.287800       1.592500     -0.9731000    
 H   -1.733900       1.564400       2.500700    
 H   0.4483000      0.8477000      -2.288100    
 H   -4.359600       3.388300      0.6843000    
 H   -3.321800       3.376500       2.094500    
 H    3.095600       4.414400      -1.109900    
 H    4.106400       3.005400     -0.7532000    
 H    2.847000       3.552400      0.4164000    
 H    3.446100      -2.796300       1.242800    
 H    2.185800      -2.250800       2.411900    
 H    3.893700      -2.277800       2.874500    


%chk=000005323-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005323

0 1
S -1.140742 -1.708460 -1.178573
O -2.054710 -2.099687 -2.470040
O -0.279768 -2.830726 -0.387689
O 4.196470 1.814569 -2.413421
O 2.563088 0.618273 1.780091
N -0.050316 -0.427291 -2.003748
N 1.234903 0.076720 -0.088868
N -4.607377 1.249651 2.787946
N 3.373581 1.229421 -0.279218
C -2.172482 -0.761277 0.039304
C -3.240939 0.011403 -0.450917
C -1.891932 -0.899607 1.409144
C 1.122102 0.086658 -1.459117
C -3.800752 0.581656 1.876940
C -4.053255 0.687984 0.473465
C -2.713029 -0.228254 2.329569
C 2.117734 0.648955 -2.294950
C 3.223389 1.231534 -1.628204
C 2.365170 0.631672 0.415007
C 5.364275 2.392867 -1.708561
C 1.530060 -0.054309 2.592846
H -0.126507 -0.561588 -3.020314
H -3.441323 0.065934 -1.525408
H -1.062016 -1.533504 1.734206
H -4.892080 1.295985 0.116240
H -2.521527 -0.329117 3.404053
H 2.055350 0.651573 -3.383606
H -5.387704 1.820537 2.475226
H -4.440252 1.175650 3.787538
H 5.996984 2.787331 -2.516665
H 5.889520 1.615354 -1.129661
H 5.042803 3.193606 -1.022245
H 1.413192 -1.105043 2.275541
H 0.561508 0.464752 2.492165
H 1.911683 0.010778 3.622225


