%chk=000064948.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064948

0 1
 O  -1.0000000E-03   1.888800       0.000000    
 N    5.868100     -0.6650000     -0.7184000    
 N   -5.870400     -0.6645000      0.7184000    
 N    4.920900      -2.046100      0.9113000    
 N   -4.923200      -2.045700     -0.9113000    
 C    1.184000       1.172500      2.5000000E-02
 C   -1.165500       1.185000     -2.4599999E-02
 C    3.550700     -0.2577000      7.5400002E-02
 C   -3.552900     -0.2574000     -7.5400002E-02
 C    2.219900       1.555200     -0.8075000    
 C   -2.221900       1.555400      0.8074000    
 C    1.300500      9.3199998E-02  0.8819000    
 C   -1.302700      9.3400002E-02 -0.8819000    
 C    3.413600      0.8339000     -0.7821000    
 C   -3.415600      0.8342000      0.7820000    
 C    2.494100     -0.6280000      0.9073000    
 C   -2.496400     -0.6278000     -0.9074000    
 C    4.795100      -1.010000      0.1012000    
 C   -4.797400      -1.009600     -0.1013000    
 H    2.113400       2.404700      -1.475400    
 H   -2.119900       2.404800       1.477500    
 H   0.5013000     -0.2001000       1.556400    
 H  -0.5050000     -0.2034000      -1.558000    
 H    4.202000       1.164200      -1.449200    
 H   -4.204100       1.164600       1.449100    
 H    2.569500      -1.469500       1.590600    
 H   -2.571800      -1.469500      -1.590500    
 H    5.856200      0.1121000      -1.367100    
 H    6.727800      -1.203300     -0.6871000    
 H   -5.858500      0.1128000       1.367000    
 H   -6.730100      -1.202700      0.6870000    
 H    5.858900      -2.442200      0.7845000    
 H   -5.861200      -2.441700     -0.7845000    


%chk=000064948-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000064948

0 1
O -0.000508 1.559410 0.000958
N 6.257345 -0.086868 -0.338792
N -6.258709 -0.085577 0.337406
N 5.248407 -2.221852 0.200344
N -5.250008 -2.221027 -0.200560
C 1.234519 0.867484 -0.044214
C -1.235666 0.867657 0.045406
C 3.821872 -0.282439 -0.078183
C -3.823194 -0.281849 0.078212
C 2.280875 1.523167 -0.727209
C -2.282058 1.523150 0.728548
C 1.463326 -0.360299 0.623972
C -1.464526 -0.359729 -0.623488
C 3.567409 0.947007 -0.741475
C -3.568685 0.947204 0.742227
C 2.751556 -0.925033 0.596804
C -2.752863 -0.924269 -0.596892
C 5.173382 -0.930476 -0.062512
C -5.174823 -0.929608 0.061998
H 2.069720 2.464816 -1.242109
H -2.070829 2.464463 1.244033
H 0.652874 -0.856950 1.166001
H -0.654045 -0.856229 -1.165609
H 4.355347 1.445618 -1.317710
H -4.356733 1.445515 1.318566
H 2.962872 -1.876189 1.094427
H -2.964176 -1.875154 -1.095036
H 6.154430 0.925155 -0.349080
H 7.199378 -0.468737 -0.388779
H -6.155510 0.926433 0.346844
H -7.200890 -0.467140 0.386992
H 6.224093 -2.584066 0.225358
H -6.225779 -2.582985 -0.226150


