%chk=000035926.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000035926

0 1
 S   0.4334000      -1.459000       1.355300    
 O    1.499900       1.019900      -2.245300    
 N   -4.492600      -1.252700     -0.1619000    
 C  -0.7580000     -0.6634000      0.2195000    
 C   -2.145700      -1.245700      0.5075000    
 C  -0.6397000      0.8355000      0.3558000    
 C   -3.179200     -0.6983000     -0.4673000    
 C   0.4418000       1.494100     -0.2456000    
 C    2.022100      -1.154400      0.5794000    
 C    2.342800     -0.2360000     -0.4367000    
 C   -1.546600       1.613300       1.092100    
 C    1.420100      0.7518000      -1.050300    
 C   0.5995000       2.882000     -0.1563000    
 C   -1.387900       2.998800       1.197400    
 C  -0.3184000       3.632600      0.5711000    
 C    3.051500      -1.987400       1.067500    
 C   -4.482300      -2.710000     -0.3024000    
 C   -5.514600     -0.6663000      -1.030900    
 C    3.654900     -0.1930000     -0.9501000    
 C    4.349100      -1.928800      0.5576000    
 C    4.650100      -1.033000     -0.4564000    
 H  -0.5079000     -0.9615000     -0.8068000    
 H   -2.459100      -1.056900       1.542900    
 H   -2.060800      -2.333700      0.3971000    
 H   -2.882600     -0.9376000      -1.497700    
 H   -3.243900      0.3910000     -0.4099000    
 H   -2.382800       1.165500       1.620700    
 H    1.433000       3.382200     -0.6421000    
 H   -2.100700       3.581700       1.773900    
 H    2.854100      -2.712300       1.856700    
 H  -0.1999000       4.708900      0.6525000    
 H   -3.940200      -3.197000      0.5136000    
 H   -4.066400      -3.037300      -1.262400    
 H   -5.503200      -3.105900     -0.2331000    
 H   -5.332000     -0.8850000      -2.089300    
 H   -5.551400      0.4215000     -0.9040000    
 H   -6.508800      -1.043600     -0.7663000    
 H    3.925500      0.5120000      -1.733800    
 H    5.118300      -2.586100      0.9518000    
 H    5.656800     -0.9814000     -0.8597000    


%chk=000035926-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000035926

0 1
S 0.520506 -1.319111 1.536413
O 1.900501 1.515481 -2.032863
N -4.482529 -1.313788 -0.258113
C -0.724617 -0.567609 0.287609
C -2.091034 -1.236191 0.525383
C -0.646492 0.938960 0.431234
C -3.107126 -0.870878 -0.583146
C 0.462633 1.620007 -0.144329
C 2.102344 -1.116485 0.641196
C 2.382120 -0.211797 -0.432564
C -1.630921 1.688446 1.122312
C 1.557078 0.951488 -0.942244
C 0.549337 3.033958 -0.042539
C -1.519574 3.089080 1.248434
C -0.425421 3.767089 0.662227
C 3.105610 -2.023767 1.083525
C -4.631068 -2.783635 -0.215208
C -5.483044 -0.691245 -1.151275
C 3.660497 -0.325063 -1.070024
C 4.365143 -2.077084 0.463539
C 4.638950 -1.231673 -0.640948
H -0.334249 -0.877492 -0.700134
H -2.516781 -0.951273 1.505258
H -1.934454 -2.330032 0.549034
H -2.748378 -1.297470 -1.558186
H -3.133973 0.227424 -0.706102
H -2.493691 1.177909 1.561863
H 1.389934 3.541596 -0.525721
H -2.287641 3.650276 1.792132
H 2.873042 -2.712785 1.903235
H -0.337578 4.855290 0.748780
H -3.974702 -3.216790 0.558257
H -4.391193 -3.276785 -1.192426
H -5.672335 -3.038492 0.050189
H -5.372450 -0.993490 -2.223926
H -5.398351 0.408723 -1.096225
H -6.499354 -0.972816 -0.822297
H 3.850903 0.357158 -1.904456
H 5.118232 -2.786393 0.823928
H 5.608326 -1.276239 -1.147722


