%chk=000118276.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118276

0 1
 S   -3.495000       2.919000     -0.3503000    
 O    1.075500      -1.332500       1.175500    
 O   -1.511000      -2.981200     -0.5167000    
 O   -3.138300      -2.541500      0.9904000    
 N  -0.4432000     -0.5743000     -0.4086000    
 N    2.029600      -1.798900      -1.786500    
 C    3.265800     -0.2698000     -0.3086000    
 C    3.258700      0.9848000      0.5912000    
 C    1.914300     -0.5892000     -0.9678000    
 C   -1.637000     -0.7398000      0.3886000    
 C   0.8253000     -0.8877000      5.6600001E-02
 C    2.815800       2.202200     -0.2254000    
 C    4.623100       1.258900       1.225200    
 C   -2.699000      0.3132000      4.3200001E-02
 C   -2.167700       1.748300      6.1400000E-02
 C   -2.189100      -2.155800      0.3164000    
 C   -2.527600       4.444000     -0.2847000    
 H    4.026000     -0.1421000      -1.091300    
 H    3.594000      -1.125100      0.2981000    
 H    2.542900      0.8446000       1.409600    
 H    1.604700      0.2330000      -1.620700    
 H   -1.336800     -0.5988000       1.435500    
 H   -3.537800      0.2132000      0.7448000    
 H   -3.101900      8.8699996E-02 -0.9543000    
 H    2.916200       3.119800      0.3653000    
 H    1.763700       2.133200     -0.5176000    
 H    3.421400       2.320300      -1.130400    
 H    5.385900       1.440800      0.4606000    
 H    4.581900       2.135300       1.880500    
 H    4.945800      0.4040000       1.828600    
 H  -0.5550000     -0.2937000      -1.378700    
 H    2.752600      -1.665100      -2.492500    
 H    1.160200      -1.950000      -2.297400    
 H   -1.775000       1.988500       1.054800    
 H   -1.364700       1.873800     -0.6713000    
 H   -1.882100      -3.889200     -0.5156000    
 H   -2.105100       4.584900      0.7135000    
 H   -3.178300       5.293400     -0.5092000    
 H   -1.723600       4.418100      -1.024900    


%chk=000118276-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000118276

0 1
S -2.478652 3.214033 0.551329
O 0.450747 -0.982848 1.586426
O -1.863586 -2.112964 -2.361104
O -3.699600 -2.170868 -0.936222
N -0.282362 -0.905803 -0.621832
N 2.799221 -2.371263 0.392101
C 3.005115 0.076755 0.188567
C 2.537788 1.425050 -0.418606
C 2.160493 -1.167485 -0.183691
C -1.707620 -0.872191 -0.271768
C 0.710698 -1.001362 0.340839
C 2.640353 1.443502 -1.963084
C 3.360992 2.585148 0.190965
C -2.335072 0.561176 -0.324097
C -1.707248 1.492040 0.723514
C -2.537042 -1.787102 -1.169990
C -1.421914 4.110429 1.824865
H 4.045958 -0.133771 -0.125300
H 3.004958 0.159125 1.294785
H 1.474242 1.585916 -0.140484
H 2.149631 -1.289158 -1.284296
H -1.792745 -1.244612 0.767165
H -3.422401 0.467442 -0.144017
H -2.195514 0.983825 -1.337969
H 2.322861 2.422685 -2.366824
H 2.006655 0.670568 -2.437366
H 3.684598 1.266030 -2.285112
H 4.436049 2.468922 -0.046586
H 3.031479 3.562904 -0.207103
H 3.260214 2.611190 1.292030
H -0.043206 -0.989917 -1.612148
H 2.812366 -2.327137 1.420032
H 2.372008 -3.250404 0.074654
H -1.888226 1.120924 1.746623
H -0.619489 1.587753 0.568967
H -2.452801 -2.673652 -2.934225
H -1.562361 3.663967 2.822210
H -1.762622 5.157437 1.837943
H -0.358762 4.071018 1.536111


