%chk=000042686.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042686

0 1
 O   -1.878100      5.5000000E-02 -0.6586000    
 O   -3.075300     -1.3700000E-02   1.308500    
 N  -0.8814000     -0.5386000      0.1273000    
 N    4.655500       2.402100     -0.1134000    
 N   -3.974200      0.8565000     -0.6426000    
 C    1.433900      -1.378600     -6.8800002E-02
 C    2.619700     -0.4197000     -0.3387000    
 C    1.314900      -1.733500       1.419900    
 C    1.650100      -2.673100     -0.8714000    
 C   0.1600000     -0.7413000     -0.6111000    
 C    2.517700      0.9430000      0.3578000    
 C    3.713300       1.757200      9.3199998E-02
 C   -2.983100      0.2718000      0.1184000    
 C   -5.272900       1.213000     -0.1203000    
 H    2.712400     -0.2490000      -1.420900    
 H    3.553600     -0.9106000     -3.1199999E-02
 H   0.5383000      -2.489900       1.584800    
 H    1.044500     -0.8658000       2.030400    
 H    2.257800      -2.136800       1.805400    
 H    2.561300      -3.190800     -0.5517000    
 H    1.738600      -2.468800      -1.944900    
 H   0.8075000      -3.362900     -0.7439000    
 H   0.1652000     -0.4583000      -1.680800    
 H    1.629300       1.482600      1.2100000E-02
 H    2.419500      0.8147000       1.440400    
 H   -3.784100       1.037900      -1.623400    
 H   -6.021100      0.5855000     -0.6106000    
 H   -5.463400       2.260700     -0.3648000    
 H   -5.320900       1.069100      0.9616000    


%chk=000042686-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042686

0 1
O -1.925491 -0.009138 -0.649384
O -3.017385 0.488045 1.432617
N -0.810135 -0.560756 0.155479
N 4.348512 2.670889 -0.181867
N -4.034821 0.800060 -0.667797
C 1.467297 -1.453496 -0.098447
C 2.620165 -0.420479 -0.345632
C 1.351335 -1.824624 1.400474
C 1.782278 -2.729468 -0.934864
C 0.177633 -0.855231 -0.647422
C 2.481439 0.887906 0.482558
C 3.509433 1.878399 0.122434
C -3.020476 0.436223 0.189043
C -5.301633 1.348045 -0.174886
H 2.659012 -0.164409 -1.422385
H 3.582274 -0.907983 -0.097811
H 0.623611 -2.642389 1.540719
H 0.997491 -0.979543 2.013284
H 2.333158 -2.162232 1.781087
H 2.722279 -3.189663 -0.579325
H 1.901740 -2.494040 -2.009195
H 0.974534 -3.475714 -0.832457
H 0.124001 -0.678206 -1.736361
H 1.481917 1.337807 0.327308
H 2.565838 0.670588 1.563131
H -3.877942 0.681173 -1.668749
H -6.155056 0.708389 -0.466013
H -5.472605 2.371152 -0.557507
H -5.249804 1.386396 0.924666


