%chk=000046041.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046041

2 1
 O   0.3160000      0.4750000     -0.3797000    
 N   -3.259700     -0.3864000     -4.4999998E-03
 N    4.000600      5.0999999E-02  3.3300001E-02
 C   -2.081400      0.3933000     -0.4602000    
 C   -4.564500      0.2887000     -0.4488000    
 C    2.703700      0.7199000     -0.3990000    
 C  -0.8149000     -0.2859000      2.2500001E-02
 C   -3.233300      -1.805100     -0.5890000    
 C   -3.278200     -0.5005000       1.525800    
 C    1.529500     -0.1259000      5.2499998E-02
 C    4.079800      -1.342300     -0.5740000    
 C    5.183200      0.8809000     -0.4451000    
 C    4.035600     -5.4600000E-02   1.551100    
 C   -4.616400       1.691900      0.1149000    
 H   -2.102500      0.4751000      -1.553600    
 H   -2.105100       1.404100     -4.2500000E-02
 H   -4.576300      0.3001000      -1.544400    
 H   -5.402400     -0.3175000     -8.6599998E-02
 H    2.667100       1.724300      3.9900001E-02
 H    2.718600      0.8295000      -1.490100    
 H  -0.7834000     -0.3658000       1.112900    
 H  -0.7048000      -1.283900     -0.4113000    
 H   -2.439000      -2.391300     -0.1211000    
 H   -4.195500      -2.279100     -0.3702000    
 H   -3.088100      -1.730000      -1.670600    
 H   -2.579100      -1.281800       1.839200    
 H   -2.989600      0.4559000       1.970100    
 H   -4.284900     -0.7910000       1.842500    
 H    1.559800      -1.130000     -0.3780000    
 H    1.485300     -0.2042000       1.142300    
 H    3.854000      -1.275300      -1.642300    
 H    5.100600      -1.712900     -0.4335000    
 H    3.394800      -2.020800     -5.9700001E-02
 H    5.106100       1.878300     -2.3000001E-03
 H    6.107800      0.3919000     -0.1241000    
 H    5.143300      0.9413000      -1.536700    
 H    3.805800      0.9263000       1.977500    
 H    3.329400     -0.8141000       1.894900    
 H    5.045300     -0.3605000       1.844300    
 H   -5.599600       2.118800     -0.1184000    
 H   -4.517600       1.743900       1.201200    
 H   -3.891700       2.367100     -0.3479000    


%chk=000046041-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000046041

2 1
O 0.331995 0.064143 -0.074433
N -3.428436 -0.403877 0.051484
N 4.123469 0.108880 -0.002242
C -2.015361 0.146891 -0.210503
C -4.477297 0.574989 -0.584616
C 2.641381 0.440048 -0.273709
C -0.849535 -0.749311 0.254156
C -3.616753 -1.763922 -0.625386
C -3.699228 -0.547590 1.549792
C 1.612414 -0.575856 0.261782
C 4.509029 -1.241364 -0.612918
C 4.969959 1.207614 -0.663331
C 4.423829 0.097789 1.499528
C -4.486448 1.998070 -0.021836
H -1.930873 0.320496 -1.296776
H -1.939739 1.117580 0.303556
H -4.260358 0.575464 -1.667217
H -5.455010 0.086805 -0.428024
H 2.442040 1.425420 0.180406
H 2.526383 0.531401 -1.366831
H -0.882787 -0.951888 1.344350
H -0.809756 -1.711641 -0.294850
H -2.958050 -2.510337 -0.158447
H -4.663571 -2.079465 -0.499855
H -3.386117 -1.669925 -1.697644
H -3.088277 -1.366201 1.957742
H -3.455229 0.394256 2.060477
H -4.764389 -0.783834 1.695399
H 1.693063 -1.560527 -0.242305
H 1.689617 -0.720410 1.358931
H 4.237085 -1.246224 -1.679550
H 5.595816 -1.379314 -0.507659
H 3.987477 -2.051104 -0.082413
H 4.687647 2.184049 -0.241378
H 6.033334 1.008116 -0.462565
H 4.788068 1.199634 -1.748738
H 4.116384 1.060461 1.935675
H 3.882357 -0.728550 1.981933
H 5.505671 -0.045103 1.641710
H -5.292143 2.547070 -0.541270
H -4.724283 2.040349 1.053799
H -3.555079 2.555318 -0.214924


