%chk=000088741.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088741

0 1
 S    1.946000      0.2518000      -2.533300    
 P    2.131800      0.2045000     -0.6031000    
 O    2.316300      -1.228500      0.1311000    
 O   0.9608000      0.9031000      0.2678000    
 O   -4.809500      -1.500500     -0.2938000    
 O   -5.305300      0.5685000      0.2474000    
 N   -4.465000     -0.3316000      5.4000001E-03
 C    3.560100       1.129100      4.2399999E-02
 C    3.702800      0.9253000       1.544500    
 C    3.445400       2.609000     -0.2972000    
 C    3.485600      -2.001800     -7.3299997E-02
 C  -0.3726000      0.5999000      0.2034000    
 C  -0.7704000     -0.6918000     -0.1260000    
 C   -1.318000       1.585300      0.4681000    
 C    3.379400      -3.278700      0.7329000    
 C   -2.128900      -1.001300     -0.1916000    
 C   -2.676500       1.275500      0.4026000    
 C   -3.081800     -1.7800000E-02  7.2700001E-02
 H    4.461700      0.7406000     -0.4456000    
 H    4.579200       1.464400       1.920900    
 H    2.826600       1.308600       2.078300    
 H    3.820200     -0.1199000       1.833300    
 H    4.306500       3.165000      8.8200003E-02
 H    2.539400       3.048500      0.1320000    
 H    3.408300       2.766400      -1.378900    
 H    3.566600      -2.247900      -1.136700    
 H    4.385400      -1.456300      0.2169000    
 H  -6.0899999E-02  -1.484500     -0.3311000    
 H   -1.005700       2.593600      0.7250000    
 H    4.259000      -3.910700      0.5823000    
 H    3.285000      -3.052800       1.800100    
 H    2.485600      -3.842900      0.4465000    
 H   -2.408500      -2.019400     -0.4503000    
 H   -3.390500       2.067300      0.6145000    


%chk=000088741-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000088741

0 1
S 2.706770 -0.554419 -2.342429
P 2.765510 0.201402 -0.413474
O 3.186714 -0.953712 0.815281
O 1.262118 0.953740 0.205683
O -4.565631 -1.316129 -1.119062
O -4.670216 -1.158425 1.155055
N -4.046059 -1.031354 0.029722
C 3.923422 1.636316 -0.012259
C 3.889487 1.977026 1.492172
C 3.584181 2.838165 -0.918793
C 3.019823 -2.417320 0.567330
C -0.027729 0.411012 0.116274
C -0.628570 0.098224 -1.131220
C -0.741448 0.251698 1.331314
C 1.596868 -2.888363 0.869416
C -1.951360 -0.380623 -1.156770
C -2.066692 -0.215046 1.306788
C -2.654084 -0.531959 0.059913
H 4.915929 1.228315 -0.285360
H 4.648683 2.754864 1.695406
H 2.901720 2.372092 1.782891
H 4.115421 1.097151 2.116773
H 4.330428 3.635328 -0.749353
H 2.585649 3.241885 -0.677652
H 3.606206 2.567401 -1.989112
H 3.306755 -2.637380 -0.479189
H 3.757153 -2.865176 1.253979
H -0.065064 0.232926 -2.057814
H -0.244973 0.504232 2.272439
H 1.546874 -3.990285 0.787431
H 1.293898 -2.603264 1.891561
H 0.872586 -2.462675 0.152820
H -2.448070 -0.631731 -2.097517
H -2.648200 -0.343917 2.223154


