%chk=000118826.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118826

0 1
 S    1.301300      0.6637000      -1.499000    
 S    4.808300      0.4221000      -1.356900    
 P    3.089300      0.2298000     -0.4305000    
 O    3.033900       1.091900      0.9581000    
 O    2.906600      -1.259000      0.2205000    
 O   -1.523500      0.8860000      -2.161600    
 N   -2.506700      1.6600000E-02 -0.2536000    
 C   -2.358300     -0.5693000       1.073200    
 C   -3.885800      0.1866000     -0.7060000    
 C   -1.406400      0.3897000      -1.038300    
 C  -4.3400001E-02  0.1443000     -0.4141000    
 C   -2.279800      -2.054200      0.9446000    
 C   -4.374900       1.532200     -0.2845000    
 C    3.153500       2.504600      0.9302000    
 C    2.887400      -2.407700     -0.6107000    
 C    3.068100       3.034700       2.345600    
 C    2.706800      -3.638100      0.2525000    
 C   -3.131600      -2.899900       1.535600    
 C   -5.444800       1.726200      0.4949000    
 H   -3.202500     -0.2576000       1.699900    
 H   -1.460500     -0.2055000       1.576900    
 H   -4.507400     -0.6323000     -0.3278000    
 H   -3.906800      0.1369000      -1.800400    
 H   5.0400000E-02  0.7304000      0.5034000    
 H   8.8600002E-02 -0.9165000     -0.1980000    
 H   -1.477700      -2.479300      0.3475000    
 H   -3.836300       2.403500     -0.6490000    
 H    4.113500       2.788300      0.4902000    
 H    2.348200       2.928300      0.3232000    
 H    2.065000      -2.329500      -1.327500    
 H    3.828600      -2.483700      -1.162100    
 H    3.862500       2.607100       2.966200    
 H    2.116300       2.750400       2.806500    
 H    3.155900       4.124700       2.360900    
 H    1.772500      -3.575600      0.8204000    
 H    3.518600      -3.719700      0.9828000    
 H    2.688400      -4.545000     -0.3582000    
 H   -3.018700      -3.971100       1.409500    
 H   -3.950700      -2.542900       2.149900    
 H   -5.756300       2.730500      0.7605000    
 H   -6.023600      0.8941000      0.8802000    


%chk=000118826-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000118826

0 1
S 1.314822 1.023663 -1.804541
S 4.917630 0.354711 -1.506948
P 3.093048 0.293568 -0.543414
O 2.921846 1.102985 0.987564
O 2.524118 -1.231310 0.082984
O -1.503240 0.882101 -2.327507
N -2.376282 0.140598 -0.297048
C -2.243364 -0.195675 1.143443
C -3.713047 -0.081906 -0.913228
C -1.338916 0.598938 -1.098147
C 0.027600 0.769741 -0.425844
C -2.092109 -1.689654 1.381108
C -4.724754 0.955311 -0.466269
C 3.647004 2.396102 1.163853
C 2.654398 -2.414416 -0.818431
C 3.402976 2.817164 2.609754
C 2.060377 -3.591883 -0.051693
C -2.950318 -2.432738 2.122069
C -5.884600 0.666985 0.175595
H -3.143199 0.178594 1.665783
H -1.379083 0.347454 1.564540
H -4.058892 -1.099622 -0.652252
H -3.563083 -0.024860 -2.006499
H 0.043892 1.658545 0.226443
H 0.337293 -0.109983 0.161837
H -1.221744 -2.166347 0.905256
H -4.470847 1.997664 -0.707555
H 4.721206 2.236427 0.953343
H 3.247317 3.139346 0.446298
H 2.106705 -2.216096 -1.760813
H 3.725053 -2.568589 -1.049246
H 3.789183 2.055104 3.307165
H 2.325916 2.957289 2.803920
H 3.921189 3.773046 2.810883
H 0.993465 -3.418993 0.174031
H 2.598562 -3.749294 0.898084
H 2.142518 -4.511955 -0.659133
H -2.796721 -3.506371 2.276678
H -3.827280 -1.983955 2.606223
H -6.597336 1.450337 0.456144
H -6.163303 -0.366327 0.420569


