%chk=000068846.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068846

0 1
 S   -1.758000      -1.284000       1.664100    
 O    1.093400       2.190000      -1.098600    
 N   8.5199997E-02  0.1848000     -0.3723000    
 N    3.197000       1.835500      0.3321000    
 C   0.2284000      -1.247900     -0.2771000    
 C   -1.263100      0.6955000     -0.2376000    
 C  -0.5540000      -2.024400      0.5925000    
 C   -2.192100      0.1017000      0.6384000    
 C    1.170000       1.058500     -0.6105000    
 C    2.532200      0.6275000     -9.9399999E-02
 C    1.129100      -1.920900      -1.124400    
 C   -1.696200       1.807300     -0.9841000    
 C  -0.3839000      -3.416700      0.6548000    
 C   -3.488800      0.6247000      0.7728000    
 C    1.289300      -3.307100      -1.066400    
 C   -2.990500       2.319300     -0.8523000    
 C   0.5393000      -4.054500     -0.1689000    
 C   -3.885700       1.731100      2.9700000E-02
 C    4.539000       1.543500      0.8525000    
 C    2.409500       2.536100       1.354700    
 H    3.081200      0.1703000     -0.9286000    
 H    2.439400     -9.2500001E-02  0.7209000    
 H    1.706400      -1.375400      -1.866900    
 H   -1.066000       2.279900      -1.730300    
 H  -0.9740000      -4.020500       1.340900    
 H   -4.203200      0.1761000       1.459900    
 H    1.995400      -3.799300      -1.728800    
 H   -3.297700       3.173100      -1.449400    
 H   0.6613000      -5.132200     -0.1193000    
 H   -4.890800       2.127800      0.1349000    
 H    5.146000       1.048000      8.6499996E-02
 H    4.506500      0.8989000       1.738300    
 H    5.060700       2.470400       1.115300    
 H    2.976800       3.396700       1.731300    
 H    2.193700       1.888200       2.213300    
 H    1.466100       2.962900       1.005400    


%chk=000068846-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000068846

0 1
S -1.691310 -1.059847 1.801166
O 0.756927 2.503699 -0.412628
N -0.046648 0.309935 -0.341182
N 3.322382 1.787116 0.552928
C 0.189835 -1.113999 -0.280764
C -1.431129 0.736045 -0.360052
C -0.501326 -1.893835 0.681972
C -2.325946 0.164835 0.578929
C 0.993702 1.280726 -0.238200
C 2.380351 0.731977 0.171172
C 1.039470 -1.759482 -1.211650
C -1.906912 1.696502 -1.281649
C -0.285539 -3.285993 0.768153
C -3.683673 0.546532 0.605884
C 1.273544 -3.147578 -1.115449
C -3.259528 2.098111 -1.240334
C 0.622513 -3.909660 -0.116366
C -4.147785 1.526752 -0.299940
C 4.712308 1.296564 0.599945
C 2.937732 2.529986 1.769593
H 2.815033 0.183659 -0.685020
H 2.220311 -0.034404 0.976326
H 1.502578 -1.171680 -2.011101
H -1.211175 2.139528 -1.997001
H -0.832282 -3.875766 1.511141
H -4.366806 0.082914 1.324928
H 1.945342 -3.635464 -1.829313
H -3.618774 2.855467 -1.944826
H 0.797026 -4.988194 -0.043736
H -5.198528 1.834179 -0.274535
H 4.990229 0.853078 -0.373772
H 4.894618 0.528304 1.395369
H 5.391627 2.146093 0.791457
H 3.667028 3.340419 1.944109
H 2.908020 1.885057 2.685218
H 1.948684 2.990825 1.622627


