%chk=000041280.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041280

0 1
 O   -2.572800      0.8885000       1.372800    
 N    1.169100     -0.7314000     -0.6490000    
 N    3.886200      1.4200000E-02 -0.1800000    
 N   -2.510500     -0.9710000     -1.0800000E-02
 N    5.967700     -0.5249000      0.8805000    
 N   -8.639800      0.7378000     -0.4797000    
 C    1.596800     -0.2792000      0.6805000    
 C    1.935700     -2.9400000E-02  -1.685800    
 C    3.084700     -0.5602000      0.9049000    
 C    3.434300     -0.3031000      -1.540500    
 C  -0.2646000     -0.5068000     -0.8307000    
 C   -1.111400      -1.280200      0.1881000    
 C    5.249300      0.2603000      1.9500000E-02
 C  -0.9035000      -2.791300      0.1186000    
 C    5.847100       1.318800     -0.6788000    
 C   -3.127700      0.1030000      0.6089000    
 C    7.200800       1.575600     -0.4913000    
 C   -4.575800      0.2699000      0.3223000    
 C    7.281100     -0.2449000       1.037200    
 C    7.938500      0.7834000      0.3814000    
 C   -5.129000       1.531000      0.3998000    
 C   -5.321200     -0.8419000     -1.1400000E-02
 C   -6.488900       1.687600      0.1315000    
 C   -6.681100     -0.6854000     -0.2797000    
 C   -7.264900      0.5795000     -0.2084000    
 H    1.080600     -0.8096000       1.484800    
 H    1.399900      0.7936000      0.8098000    
 H    1.754400       1.052900      -1.637500    
 H    1.621400     -0.3694000      -2.680100    
 H    3.379000     -0.1242000       1.867700    
 H    3.263300      -1.641700      0.9605000    
 H    3.646800      -1.359200      -1.752100    
 H    3.962500      0.2884000      -2.296800    
 H  -0.4987000      0.5652000     -0.7699000    
 H  -0.5586000     -0.8279000      -1.839400    
 H  -0.8875000     -0.9554000       1.208300    
 H   -1.137200      -3.177200     -0.8800000    
 H   0.1271000      -3.069000      0.3600000    
 H   -1.561000      -3.304600      0.8293000    
 H   -3.004500      -1.512500     -0.7126000    
 H    5.273900       1.952400      -1.349300    
 H    7.679200       2.393800      -1.021000    
 H    7.811300     -0.8913000       1.728700    
 H    8.994600      0.9659000      0.5439000    
 H   -4.537200       2.404100      0.6579000    
 H   -4.912000      -1.846300     -4.4500001E-02
 H   -6.932000       2.678600      0.1892000    
 H   -7.277200      -1.557600     -0.5363000    
 H   -9.063900       1.654400     -0.4273000    
 H   -9.203100     -6.5499999E-02 -0.7254000    


%chk=000041280-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041280

0 1
O -2.382845 0.421422 1.375632
N 1.194313 -0.715066 -0.684859
N 3.973505 -0.166033 -0.150992
N -2.553999 -1.153071 -0.317952
N 5.485104 0.792651 1.379276
N -8.695579 1.115948 0.086276
C 1.601794 -0.022066 0.567506
C 2.111838 -0.338423 -1.783301
C 3.030174 -0.428359 0.959106
C 3.562510 -0.743038 -1.440925
C -0.240093 -0.531479 -1.008662
C -1.131995 -1.536438 -0.220670
C 5.248904 0.341355 0.098605
C -0.926742 -2.980982 -0.705528
C 6.274171 0.410045 -0.904198
C -3.105389 -0.189221 0.516418
C 7.517577 0.973081 -0.569019
C -4.568936 0.097280 0.363498
C 6.698775 1.329181 1.672971
C 7.753254 1.454257 0.743349
C -5.083816 1.254746 1.006424
C -5.477605 -0.721317 -0.360613
C -6.440359 1.599174 0.918473
C -6.841148 -0.392468 -0.455136
C -7.347191 0.780870 0.179575
H 0.907128 -0.294274 1.380763
H 1.552057 1.088248 0.443109
H 2.087790 0.762702 -1.988186
H 1.804791 -0.865535 -2.706011
H 3.382646 0.135965 1.835333
H 3.041158 -1.512152 1.205024
H 3.624261 -1.852849 -1.402751
H 4.221457 -0.387871 -2.248966
H -0.591125 0.501456 -0.782355
H -0.382683 -0.705499 -2.093791
H -0.864768 -1.456648 0.848779
H -1.290091 -3.111974 -1.745142
H 0.152483 -3.209674 -0.692201
H -1.454559 -3.703098 -0.057757
H -3.114039 -1.571487 -1.060979
H 6.115886 0.023815 -1.913981
H 8.305274 1.028375 -1.329119
H 6.821176 1.670083 2.708607
H 8.710575 1.894977 1.034523
H -4.382725 1.869405 1.580833
H -5.142666 -1.651523 -0.836790
H -6.811155 2.501031 1.420897
H -7.524942 -1.045783 -1.010831
H -9.058530 1.944684 0.548281
H -9.344425 0.533375 -0.434745


