%chk=000049717.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049717

0 1
 O   -2.564700      -2.824100      0.9627000    
 N   4.3400001E-02  -1.652700     -0.5609000    
 N   -2.667800     -0.5111000      0.6616000    
 C   0.2266000     -0.4249000      0.2476000    
 C   0.8495000      -1.613600      -1.788300    
 C    1.696700     -5.9900001E-02  0.4481000    
 C    2.339200      -1.601900      -1.447800    
 C  -0.6865000      0.7287000     -0.1890000    
 C    2.691900     -0.5937000     -0.3886000    
 C   -1.355500      -1.934100     -0.8892000    
 C   -2.073100      0.6759000      0.1088000    
 C   -2.228700      -1.809100      0.3479000    
 C    2.068100      0.8232000       1.477000    
 C    4.033000     -0.2390000     -0.1874000    
 C  -0.1751000       1.864700     -0.8429000    
 C   -2.870200       1.805400     -0.1464000    
 C    3.404100       1.176700       1.662400    
 C    4.385700      0.6473000      0.8295000    
 C   -3.792100     -0.3521000       1.580500    
 C  -0.9921000       2.958400      -1.125000    
 C   -2.332400       2.936000     -0.7606000    
 H  -8.5400000E-02 -0.6932000       1.268900    
 H   0.5936000     -0.7381000      -2.399500    
 H   0.6531000      -2.500100      -2.404700    
 H    2.908400      -1.395800      -2.362200    
 H    2.638300      -2.593900      -1.085400    
 H   -1.444400      -2.967100      -1.248500    
 H   -1.748900      -1.295400      -1.690300    
 H    1.313800       1.243400       2.137900    
 H    4.811500     -0.6583000     -0.8200000    
 H   0.8717000       1.925200      -1.128100    
 H   -3.932300       1.812000      8.3600000E-02
 H    3.678600       1.863000       2.458100    
 H    5.427100      0.9181000      0.9764000    
 H   -3.603200      0.4785000       2.267800    
 H   -3.943700      -1.258800       2.173400    
 H   -4.703100     -0.1718000       1.001800    
 H  -0.5772000       3.832400      -1.618400    
 H   -2.967100       3.792000     -0.9713000    


%chk=000049717-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049717

0 1
O -2.823806 -2.822862 0.849155
N 0.046700 -1.632744 -0.610894
N -2.642985 -0.499303 0.698340
C 0.214736 -0.445038 0.288970
C 0.861430 -1.548035 -1.847349
C 1.688359 -0.081660 0.462569
C 2.351158 -1.609422 -1.475868
C -0.665904 0.738612 -0.158038
C 2.699848 -0.615951 -0.377948
C -1.380250 -1.918925 -0.921167
C -2.073540 0.666730 0.076378
C -2.314105 -1.806669 0.291513
C 2.048131 0.812433 1.502867
C 4.049727 -0.236445 -0.159401
C -0.149067 1.883198 -0.810410
C -2.912411 1.753674 -0.277350
C 3.391590 1.180560 1.716368
C 4.401572 0.652785 0.876372
C -3.676222 -0.334062 1.744209
C -0.987614 2.955069 -1.187575
C -2.371359 2.895078 -0.904208
H -0.163797 -0.767708 1.279906
H 0.641585 -0.620542 -2.432892
H 0.596861 -2.409928 -2.486893
H 2.975624 -1.427429 -2.371825
H 2.579770 -2.633313 -1.120702
H -1.455113 -2.959663 -1.277741
H -1.772211 -1.243380 -1.722415
H 1.261651 1.223504 2.147849
H 4.829603 -0.649370 -0.811707
H 0.929885 1.948154 -0.987088
H -3.987907 1.697561 -0.079166
H 3.651216 1.868770 2.528185
H 5.449849 0.932369 1.030184
H -3.395819 0.489464 2.421166
H -3.743167 -1.281618 2.301158
H -4.670635 -0.123926 1.306925
H -0.563741 3.835045 -1.683107
H -3.028842 3.727187 -1.178869


