%chk=000082298.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000082298

0 1
 S   -2.209700       2.404600      0.6371000    
 N  -0.5911000      -1.678000      0.1230000    
 C  -0.2610000      0.5145000     -7.4000000E-03
 C    1.030000     -0.1331000      1.4100000E-02
 C   -1.231500     -0.4753000      1.1000000E-02
 C   0.7717000      -1.502400      0.1356000    
 C    2.404400      0.2853000     -5.3199999E-02
 C  -0.5897000       1.965100     -9.1100000E-02
 C   -2.680500     -0.2907000     -4.5100000E-02
 C    3.428500     -0.6967000      5.9000000E-02
 C   -3.221500      0.9881000      0.1928000    
 C    1.772900      -2.470700      0.2383000    
 C    3.099000      -2.046000      0.2085000    
 C    2.787100       1.632100     -0.2408000    
 C   -3.546600      -1.354500     -0.3425000    
 C    4.775300     -0.3036000      1.0100000E-02
 C   -4.611100       1.174400      0.1462000    
 C    4.133500       1.999000     -0.2896000    
 C   -4.926700      -1.154400     -0.3958000    
 C    5.125100       1.034700     -0.1594000    
 C   -5.458200      0.1076000     -0.1507000    
 H   -1.045900      -2.577900      0.1893000    
 H   0.1393000       2.561300      0.4610000    
 H  -0.5794000       2.287300      -1.137600    
 H    1.530700      -3.524000      0.3378000    
 H    3.881500      -2.798800      0.2916000    
 H    2.054200       2.419700     -0.3697000    
 H   -3.165100      -2.352300     -0.5443000    
 H    5.571000      -1.041000      9.9299997E-02
 H   -5.051000       2.150000      0.3411000    
 H    4.405400       3.040800     -0.4340000    
 H   -5.586200      -1.985600     -0.6282000    
 H    6.171800       1.321700     -0.1978000    
 H   -6.532700      0.2616000     -0.1883000    


%chk=000082298-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000082298

0 1
S -2.219085 2.436843 0.660634
N -0.612201 -1.712514 0.080579
C -0.245978 0.530547 -0.059230
C 1.039801 -0.133546 -0.011841
C -1.242277 -0.463180 -0.011973
C 0.769829 -1.537795 0.094906
C 2.417532 0.308793 -0.058863
C -0.572712 1.992428 -0.193171
C -2.690168 -0.286123 -0.063630
C 3.453728 -0.701015 0.072679
C -3.258055 0.999297 0.198782
C 1.785541 -2.525791 0.213694
C 3.109924 -2.096305 0.211412
C 2.821082 1.669932 -0.238460
C -3.574557 -1.360778 -0.362284
C 4.827469 -0.299556 0.051007
C -4.658569 1.180627 0.186731
C 4.174188 2.032372 -0.258376
C -4.972385 -1.182521 -0.363351
C 5.188977 1.042463 -0.105149
C -5.518120 0.091401 -0.080887
H -1.092445 -2.598445 0.220903
H 0.155534 2.630674 0.330723
H -0.643292 2.319459 -1.246275
H 1.533907 -3.587963 0.305425
H 3.923145 -2.824823 0.306686
H 2.064814 2.446096 -0.382791
H -3.163648 -2.344714 -0.620364
H 5.601083 -1.069968 0.155268
H -5.075757 2.173867 0.384423
H 4.455562 3.081858 -0.399101
H -5.631253 -2.026263 -0.593764
H 6.244558 1.334471 -0.120122
H -6.602673 0.242970 -0.083918


