%chk=000029205.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029205

0 1
 O    1.204800      -2.029700     -0.4391000    
 O   0.1850000       1.858400      0.1764000    
 N  -0.4879000     -0.3965000      7.2899997E-02
 N    5.249600       1.713200      0.3020000    
 N   -6.047300      0.5125000     -8.2300000E-02
 C    1.855200      0.2421000      5.1899999E-02
 C   7.4999998E-03  -1.754200      0.2980000    
 C   0.4361000      0.6595000      0.1011000    
 C    2.168000      -1.084500     -0.2353000    
 C   -1.908300     -0.1643000      3.3199999E-02
 C    2.880800       1.176100      0.2318000    
 C    3.498600      -1.480700     -0.3728000    
 C   -2.406100      0.9810000     -0.5829000    
 C   -2.777600      -1.086200      0.6110000    
 C    4.212700      0.7745000      0.1165000    
 C    4.521100     -0.5508000     -0.1894000    
 C   -3.782200       1.206000     -0.6214000    
 C   -4.153700     -0.8614000      0.5724000    
 C   -4.656100      0.2848000     -4.3900002E-02
 H  -0.7161000      -2.495000     -5.3100001E-02
 H   0.1893000      -1.902000       1.370100    
 H    2.651900       2.215400      0.4554000    
 H    3.745500      -2.511100     -0.6137000    
 H   -1.769600       1.698400      -1.089900    
 H   -2.429900      -1.974000       1.130000    
 H    5.555100     -0.8710000     -0.2892000    
 H   -4.162600       2.097300      -1.114100    
 H   -4.824400      -1.582800       1.032500    
 H    6.215200       1.421200      0.2303000    
 H    5.028600       2.672000      0.5354000    
 H   -6.412300       1.342700     -0.5298000    
 H   -6.681300     -0.1557000      0.3353000    


%chk=000029205-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000029205

0 1
O 1.145570 -2.022307 -0.534226
O 0.146389 1.896811 0.397495
N -0.487232 -0.369885 0.215428
N 5.320101 1.684095 0.365928
N -6.108059 0.462552 -0.235636
C 1.883520 0.213919 0.175293
C 0.010010 -1.753571 0.354156
C 0.462528 0.671490 0.298188
C 2.187450 -1.087843 -0.303206
C -1.905643 -0.134534 0.122690
C 2.931627 1.135300 0.397166
C 3.515152 -1.452087 -0.595815
C -2.422244 0.926047 -0.666297
C -2.818180 -0.979934 0.802948
C 4.279758 0.777873 0.138821
C 4.553849 -0.528469 -0.372652
C -3.807804 1.124390 -0.778744
C -4.208939 -0.794706 0.680855
C -4.730662 0.264722 -0.113151
H -0.778722 -2.456934 0.055144
H 0.341968 -1.945408 1.396968
H 2.661679 2.140885 0.739342
H 3.723597 -2.454328 -0.981970
H -1.733773 1.602107 -1.177688
H -2.450057 -1.779675 1.456244
H 5.588866 -0.818490 -0.590697
H -4.184419 1.952745 -1.391146
H -4.893507 -1.463699 1.216161
H 6.282464 1.436390 0.158988
H 5.126629 2.618569 0.712327
H -6.475152 1.228793 -0.791600
H -6.767167 -0.139619 0.247982


