%chk=000056036.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056036

0 1
 S   -2.285900      -1.786300     -0.2402000    
 O    1.076400       1.316900      0.5675000    
 N    3.565900      0.2705000      1.5699999E-02
 N   0.1440000     -0.8073000      0.1757000    
 N   -3.648700     -0.8353000     -0.2706000    
 C    2.503800     -0.6234000      0.4761000    
 C    1.170300      0.1029000      0.4186000    
 C    3.314900      0.6958000      -1.360900    
 C    4.868000     -0.3875000      0.1180000    
 C   -1.214800     -0.5039000      5.8100000E-02
 C   -1.887900      0.6703000      0.1383000    
 C   -3.277000      0.4247000     -5.7000000E-02
 C   -4.329000       1.462700     -3.9500002E-02
 H    2.475200      -1.542200     -0.1229000    
 H    2.665900     -0.9042000       1.523800    
 H    2.421700       1.318200      -1.465400    
 H    3.222900     -0.1566000      -2.044700    
 H    4.143600       1.319300      -1.718200    
 H    5.670200      0.2977000     -0.1779000    
 H    4.930500      -1.283700     -0.5100000    
 H    5.071500     -0.6781000       1.154800    
 H   0.3652000      -1.794400      7.5499997E-02
 H   -1.451800       1.643000      0.3207000    
 H   -3.908600       2.456900      0.1445000    
 H   -4.855800       1.495000     -0.9989000    
 H   -5.060600       1.258100      0.7492000    


%chk=000056036-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000056036

0 1
S -2.511586 -1.977469 -0.181897
O 0.888233 1.253542 0.308615
N 3.588589 0.234104 -0.091157
N 0.070790 -0.923709 0.033317
N -3.908334 -0.812413 -0.117065
C 2.494639 -0.648494 0.300869
C 1.105222 0.019862 0.206554
C 3.541071 0.661916 -1.501310
C 4.909125 -0.264672 0.331079
C -1.300707 -0.639638 0.007790
C -1.960491 0.580587 0.110167
C -3.394670 0.432303 0.036263
C -4.373489 1.583870 0.118193
H 2.468204 -1.610785 -0.288283
H 2.642162 -0.937977 1.361320
H 2.584574 1.171869 -1.703079
H 3.659025 -0.185594 -2.224191
H 4.352168 1.386551 -1.688747
H 5.674927 0.499296 0.109953
H 5.216621 -1.213927 -0.177861
H 4.912956 -0.442590 1.421707
H 0.357949 -1.898453 -0.088206
H -1.440447 1.528888 0.229245
H -3.837802 2.539796 0.235790
H -4.992154 1.636606 -0.794302
H -5.056675 1.455630 0.975537


