%chk=000108565.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000108565

0 1
 S   -2.836600      0.9112000      0.4387000    
 O   -2.517600      -1.012000      -1.350500    
 N  -0.2846000      0.1020000      0.4853000    
 N  -0.7512000       2.603000      0.4488000    
 C   -1.067100       1.236800      8.6000003E-03
 C    1.065200     -8.6999997E-02  0.2398000    
 C    1.769500      -1.144400      0.8463000    
 C    1.770300      0.7734000     -0.6232000    
 C    3.129100      -1.334300      0.5994000    
 C    3.130000      0.5833000     -0.8702000    
 C    3.809300     -0.4706000     -0.2589000    
 C   -3.099000     -0.6543000     -0.3332000    
 C   -4.117300      -1.506900      0.3690000    
 H   -1.035600       1.240900      -1.086900    
 H  -0.7333000     -0.5281000       1.141000    
 H    1.254600      -1.827600       1.518300    
 H    1.282200       1.599900      -1.131300    
 H    3.658200      -2.155000       1.075100    
 H    3.659700       1.253800      -1.540500    
 H   -1.437100       3.244000      5.2000001E-02
 H  -0.8687000       2.654300       1.459800    
 H    4.867700     -0.6189000     -0.4519000    
 H   -4.212400      -2.462000     -0.1563000    
 H   -5.092500      -1.012300      0.3654000    
 H   -3.798600      -1.709900       1.395200    


%chk=000108565-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000108565

0 1
S -1.890057 -0.986138 0.219818
O -3.665466 1.012849 -0.408983
N 0.417370 0.877156 1.228323
N -1.715690 1.933801 1.262734
C -0.791969 1.142095 0.608547
C 1.547949 0.269736 0.620275
C 2.755869 0.203368 1.365070
C 1.502980 -0.259201 -0.696292
C 3.907970 -0.373543 0.794765
C 2.667331 -0.826653 -1.257007
C 3.874081 -0.886889 -0.523353
C -3.424595 -0.242624 -0.395424
C -4.447510 -1.228076 -0.943955
H -0.758034 1.278633 -0.473789
H 0.464436 1.000564 2.242124
H 2.793400 0.612096 2.383069
H 0.565644 -0.272446 -1.259609
H 4.833933 -0.417363 1.378577
H 2.623076 -1.238150 -2.271372
H -2.611798 1.983005 0.736227
H -1.797244 1.855003 2.279379
H 4.770366 -1.332565 -0.966757
H -5.438900 -0.748523 -1.001335
H -4.493451 -2.136290 -0.320009
H -4.145492 -1.540544 -1.961223


