%chk=000100063.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100063

0 1
 S    1.376400      4.4300001E-02  0.9043000    
 O    4.934100     -0.9179000       1.177600    
 O    4.240500      -1.395700     -0.9287000    
 N    4.604600       1.518200      -1.134200    
 N   -5.296600      8.7899998E-02 -0.6712000    
 C   -1.376100     -0.3477000       1.005900    
 C  -0.2574000      0.2770000      0.1693000    
 C    2.356800      0.9062000     -0.3660000    
 C    3.857200      0.8350000     -7.6499999E-02
 C   -2.756500     -0.1942000      0.4152000    
 C   -3.516000      0.9129000      0.7408000    
 C   -3.240400      -1.163100     -0.4421000    
 C    4.362600     -0.5941000     -9.8000001E-03
 C   -4.776100       1.007100      0.1727000    
 C   -4.513000     -0.9761000     -0.9573000    
 H   -1.375100      8.9400001E-02   2.014100    
 H   -1.176800      -1.418100       1.154300    
 H  -0.2573000     -0.1675000     -0.8323000    
 H  -0.4414000       1.351100      5.3900000E-02
 H    2.030300       1.951500     -0.4042000    
 H    2.134900      0.4437000      -1.334900    
 H    4.073700       1.335200      0.8755000    
 H   -3.153300       1.685000       1.409800    
 H   -2.659400      -2.037800     -0.7115000    
 H    5.592000       1.558000     -0.8836000    
 H    4.291000       2.485600      -1.204000    
 H   -5.420800       1.852800      0.3883000    
 H   -4.949200      -1.701100      -1.636600    
 H    5.235800      -1.851100       1.196100    


%chk=000100063-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100063

0 1
S 1.220962 2.336584 1.111065
O 3.312988 -1.866737 0.069610
O 1.446022 -0.759238 -0.736596
N 4.661397 0.505838 -0.352239
N -4.425129 -1.146434 -1.090580
C -1.009549 0.533858 1.099426
C -0.344141 1.656569 0.268074
C 2.596780 1.836528 -0.090152
C 3.328258 0.529739 0.287161
C -2.200676 -0.056941 0.359846
C -3.537355 0.243313 0.722170
C -2.006632 -0.917562 -0.753334
C 2.567480 -0.709562 -0.190667
C -4.603252 -0.316273 -0.020010
C -3.131151 -1.430547 -1.435302
H -1.322622 0.935417 2.080771
H -0.253338 -0.248950 1.285959
H -0.033280 1.273626 -0.715577
H -1.025730 2.512421 0.130359
H 3.317229 2.671393 -0.048026
H 2.187023 1.786207 -1.111142
H 3.358094 0.460483 1.402609
H -3.749685 0.900011 1.573742
H -0.993308 -1.181326 -1.075468
H 5.137413 -0.399226 -0.293395
H 5.258872 1.293571 -0.086448
H -5.644742 -0.099622 0.245389
H -3.007165 -2.099226 -2.295242
H 2.819739 -2.667414 -0.257104


