%chk=000060535.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060535

0 1
 O   -1.798000      -2.076400       1.416400    
 N  -0.6555000     -0.4361000      0.1624000    
 N  -0.4606000      -2.603700     -0.4312000    
 N   -4.077900      0.6941000      0.1511000    
 C   0.2873000     -0.4292000     -0.9533000    
 C   0.2607000      -1.880900      -1.450600    
 C   -1.117600      0.7580000      0.8414000    
 C    1.660100     -4.6399999E-02 -0.5087000    
 C   -1.838000       1.723900     -9.7400002E-02
 C   -1.061000      -1.739500      0.4989000    
 C   -3.061800       1.128800     -0.7997000    
 C    2.292800       1.057700      -1.077500    
 C    2.307100     -0.7941000      0.4741000    
 C    3.575900       1.414900     -0.6630000    
 C    3.590100     -0.4368000      0.8889000    
 C    4.224500      0.6678000      0.3204000    
 C   -5.239400      0.1447000     -0.5507000    
 C   -4.485000       1.804100       1.014500    
 C    5.596300       1.049400      0.7641000    
 H  -8.1900001E-02  0.2342000      -1.742500    
 H  -0.3295000      -1.964000      -2.369800    
 H    1.235800      -2.346500      -1.621400    
 H  -0.2415000       1.253000       1.274400    
 H   -1.765200      0.4715000       1.676400    
 H   -1.138300       2.052300     -0.8767000    
 H   -2.089800       2.642200      0.4446000    
 H  -0.5965000      -3.609600     -0.4332000    
 H   -2.746300      0.2811000      -1.420100    
 H   -3.467900       1.883000      -1.487300    
 H    1.799600       1.649300      -1.844100    
 H    1.838700      -1.657400      0.9373000    
 H    4.060400       2.276500      -1.114700    
 H    4.085800      -1.027400       1.654800    
 H   -5.728600      0.8898000      -1.188500    
 H   -4.943700     -0.7050000      -1.176200    
 H   -5.977100     -0.2362000      0.1644000    
 H   -4.781900       2.691200      0.4432000    
 H   -5.340000       1.508200       1.634800    
 H   -3.703100       2.080500       1.728000    
 H    6.345200      0.5330000      0.1555000    
 H    5.754900       2.129400      0.6741000    
 H    5.758000      0.7889000       1.815700    


%chk=000060535-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000060535

0 1
O -2.071357 -2.049005 0.518079
N -0.646851 -0.395670 -0.450153
N -0.365115 -2.539663 -1.067657
N -4.186591 1.057680 0.590926
C 0.523252 -0.352443 -1.356016
C 0.511545 -1.800301 -1.984646
C -1.122059 0.774584 0.299487
C 1.834663 -0.011949 -0.642312
C -2.044406 1.695568 -0.534796
C -1.130381 -1.695352 -0.250718
C -3.451286 1.072531 -0.696676
C 2.747383 0.899604 -1.221831
C 2.177079 -0.621077 0.592023
C 3.980093 1.188985 -0.592369
C 3.406193 -0.330570 1.217396
C 4.333336 0.575753 0.635170
C -5.000983 -0.154674 0.810053
C -4.923436 2.305701 0.851361
C 5.663958 0.867498 1.307632
H 0.366260 0.394508 -2.158530
H 0.101013 -1.770682 -3.014671
H 1.530836 -2.220847 -2.022042
H -0.244214 1.332623 0.678763
H -1.701861 0.407438 1.166236
H -1.595704 1.889798 -1.530900
H -2.128112 2.675127 -0.024271
H -0.616946 -3.518589 -1.174891
H -3.334843 0.029169 -1.043522
H -4.021891 1.615153 -1.490916
H 2.492004 1.393346 -2.168813
H 1.471591 -1.313856 1.065584
H 4.671716 1.903273 -1.055495
H 3.652229 -0.807928 2.174214
H -5.860180 -0.252878 0.097756
H -4.353910 -1.043787 0.719894
H -5.415894 -0.136432 1.835160
H -5.785702 2.464906 0.152237
H -5.319812 2.298482 1.883172
H -4.248536 3.175740 0.756429
H 6.366162 0.020015 1.186619
H 6.147045 1.762402 0.878639
H 5.540813 1.034120 2.393196


