%chk=000071892.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071892

1 1
 S    2.095400      -2.974000      0.5844000    
 O  -0.3713000     -0.9227000     -3.1099999E-02
 O    2.376600     -0.3220000       2.092800    
 O  -0.2601000     -0.1105000       2.117700    
 N   -3.990300     -1.9400001E-02 -0.1462000    
 C   -2.490900      0.1625000     -0.3331000    
 C   -4.472700      -1.175900      -1.009700    
 C   -4.711000       1.256300     -0.5577000    
 C   -4.286400     -0.3203000       1.316100    
 C   -1.775000      -1.099200      0.1071000    
 C   -5.963500      -1.351600     -0.8196000    
 C   -4.227400       2.402000      0.3041000    
 C    1.778100     -0.2405000      0.7882000    
 C   0.2832000     -0.4132000       1.060700    
 C    2.078700       1.135700      0.1882000    
 C    2.372100      -1.417400      5.0000002E-04
 C    1.198400       1.659500     -0.7299000    
 C    3.216900       1.794800      0.5909000    
 C    3.102500      -1.340900      -1.124100    
 C    3.474400      -2.646000      -1.558100    
 C    1.472000       2.913300      -1.276500    
 C    3.490200       3.048700      4.4399999E-02
 C    2.992300      -3.627100     -0.7198000    
 C    2.617800       3.607900     -0.8893000    
 H   -2.138900      0.9981000      0.2771000    
 H   -2.294700      0.3947000      -1.386500    
 H   -3.982500      -2.099700     -0.6947000    
 H   -4.219700     -0.9586000      -2.053100    
 H   -4.514100       1.437800      -1.620000    
 H   -5.785200       1.136700     -0.3965000    
 H   -3.600300      0.2462000       1.953900    
 H   -5.316900     -3.4000002E-02   1.549100    
 H   -4.157000      -1.390700       1.505300    
 H   -2.009200      -1.424600       1.124700    
 H   -2.000800      -1.940800     -0.5515000    
 H   -6.271800      -2.263500      -1.346100    
 H   -6.274800      -1.486400      0.2187000    
 H   -6.551000     -0.5481000      -1.271900    
 H   -4.852500       3.278300      9.1499999E-02
 H   -4.312000       2.228900       1.379300    
 H   -3.207400       2.716200      6.7100003E-02
 H   0.3124000       1.143400      -1.075600    
 H    3.921000       1.375200       1.301900    
 H    2.090700      0.4497000       2.612000    
 H    3.383800     -0.4371000      -1.647700    
 H    4.065500      -2.855000      -2.440400    
 H   0.7960000       3.346500      -2.007900    
 H    4.384800       3.587900      0.3422000    
 H    3.123900      -4.696000     -0.8110000    
 H    2.832000       4.583200      -1.316700    


%chk=000071892-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000071892

1 1
S 2.421450 -3.172953 0.633311
O -0.344663 -1.205922 -0.455924
O 2.054022 -0.423003 2.189735
O -0.637812 -0.493886 1.734180
N -3.922048 0.042257 -0.096298
C -2.501720 -0.047188 -0.690535
C -4.832056 -0.968721 -0.850802
C -4.459545 1.484821 -0.331611
C -3.901985 -0.268415 1.405596
C -1.812343 -1.422542 -0.516907
C -6.288623 -1.023755 -0.378440
C -3.652293 2.600289 0.342474
C 1.652770 -0.413347 0.778056
C 0.127373 -0.718576 0.762369
C 1.805060 1.000800 0.148655
C 2.485480 -1.453818 0.069804
C 1.344096 1.280300 -1.164643
C 2.433996 2.020799 0.899962
C 3.405099 -1.300968 -0.955681
C 4.059250 -2.529055 -1.334836
C 1.503048 2.573033 -1.711489
C 2.589861 3.313433 0.348998
C 3.643788 -3.623961 -0.596137
C 2.121885 3.595654 -0.954402
H -1.899884 0.719006 -0.181173
H -2.588300 0.224431 -1.756365
H -4.354662 -1.955487 -0.724497
H -4.773129 -0.690130 -1.918158
H -4.490030 1.622103 -1.427289
H -5.494070 1.482171 0.046697
H -2.975529 0.125313 1.846896
H -4.784884 0.186075 1.876729
H -3.931185 -1.357428 1.555330
H -2.128249 -1.937007 0.406646
H -1.944628 -2.082707 -1.385442
H -6.790481 -1.832154 -0.938942
H -6.383000 -1.271682 0.691850
H -6.850147 -0.098543 -0.585433
H -4.193005 3.548298 0.173547
H -3.570673 2.468284 1.434040
H -2.642539 2.731071 -0.079341
H 0.893487 0.484423 -1.768162
H 2.818615 1.785210 1.896420
H 1.294538 -0.085450 2.740540
H 3.619109 -0.337329 -1.422348
H 4.816980 -2.592834 -2.118739
H 1.163572 2.777441 -2.733124
H 3.088745 4.093714 0.933529
H 3.974713 -4.659509 -0.653861
H 2.251849 4.595746 -1.381581


