%chk=000014987.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000014987

0 1
 O   -4.076700      -2.557200     -0.5387000    
 N   -2.041300       1.831200     -4.5800000E-02
 N    3.862800      0.7756000     -0.1609000    
 C  -0.7142000       1.259700      0.3156000    
 C  -0.6064000     -0.2650000      1.7800000E-02
 C   0.4218000       2.103400     -0.3738000    
 C   -3.068600     -0.3989000     -0.3585000    
 C   -3.131300      0.9437000      0.3877000    
 C    1.737800       1.420800     -0.2564000    
 C   0.7356000     -0.8849000      9.3400002E-02
 C    1.788100      2.7500000E-02 -4.5000002E-02
 C   -1.686800     -0.9906000     -0.3184000    
 C    3.114100     -0.3687000      9.3999999E-03
 C   -4.092000      -1.370800      0.2315000    
 C   -2.245300       3.165100      0.5287000    
 C    3.036800       1.866700     -0.3251000    
 C    1.075500      -2.228800      0.2908000    
 C    3.470200      -1.704000      0.2041000    
 C    2.419800      -2.624800      0.3434000    
 H  -0.5779000       1.349500       1.405300    
 H   0.4950000       3.095500      8.5299999E-02
 H   0.1925000       2.241600      -1.438400    
 H   -3.310800     -0.2378000      -1.418400    
 H   -4.101800       1.406000      0.1643000    
 H   -3.093200      0.7890000       1.475300    
 H   -1.583600      -2.038100     -0.5875000    
 H   -5.103300     -0.9517000      0.2068000    
 H   -3.853600      -1.630600       1.268600    
 H   -2.151400       3.162900       1.620500    
 H   -3.241100       3.546100      0.2732000    
 H   -1.539000       3.891900      0.1173000    
 H    3.455400       2.851400     -0.4781000    
 H   0.3059000      -2.985800      0.4172000    
 H    4.872700      0.8108000     -0.1692000    
 H    4.506300      -2.020100      0.2476000    
 H    2.656400      -3.675000      0.4999000    
 H   -4.344700      -2.326400      -1.444600    


%chk=000014987-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000014987

0 1
O -4.230247 -2.622423 -0.630790
N -2.039221 1.819471 0.017503
N 3.949831 0.809472 -0.122554
C -0.685248 1.261395 0.297303
C -0.611097 -0.250857 -0.019872
C 0.405677 2.088688 -0.474404
C -3.113357 -0.390812 -0.362142
C -3.133815 0.917457 0.450419
C 1.762269 1.456760 -0.287767
C 0.742899 -0.853940 0.076453
C 1.829090 0.045002 -0.037223
C -1.719366 -0.972734 -0.350875
C 3.193032 -0.358088 0.054899
C -4.149833 -1.400736 0.185986
C -2.221359 3.179356 0.567906
C 3.079495 1.908374 -0.328333
C 1.073512 -2.212861 0.292002
C 3.521540 -1.717293 0.265506
C 2.437656 -2.622998 0.377305
H -0.443933 1.364756 1.391716
H 0.402387 3.135442 -0.122451
H 0.113129 2.100766 -1.543241
H -3.401376 -0.144027 -1.409421
H -4.093230 1.445876 0.292649
H -3.065335 0.671059 1.543329
H -1.630365 -2.036149 -0.609457
H -5.147338 -0.915262 0.265762
H -3.851059 -1.760815 1.185125
H -2.068011 3.229370 1.676247
H -3.246825 3.524963 0.348139
H -1.525536 3.891122 0.094343
H 3.480870 2.907466 -0.489804
H 0.284202 -2.961853 0.420326
H 4.965247 0.866832 -0.109424
H 4.555499 -2.070465 0.343235
H 2.656470 -3.683362 0.548851
H -4.492555 -2.369753 -1.552344


