%chk=000044733.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044733

0 1
 O    5.036500      0.2546000      0.4767000    
 N   -1.298800       1.428300      6.7500003E-02
 N  -0.6432000      0.8842000      -2.172600    
 C    1.037400      0.7565000     -0.5283000    
 C   -2.692000       1.706500     -0.2720000    
 C    1.479100     -0.5209000     -0.1468000    
 C  -0.3486000       1.027400     -0.8996000    
 C  -0.9416000       1.663100       1.463900    
 C    2.838700     -0.7083000      0.1986000    
 C   -3.558500      0.4831000     -0.1324000    
 C    1.923200       1.833600     -0.5686000    
 C    3.716400      0.3871000      0.1524000    
 C   0.6014000      -1.616200     -0.1006000    
 C    3.260300       1.649200     -0.2289000    
 C  -0.5039000       3.101200       1.684300    
 C    3.280500      -1.985600      0.5800000    
 C    1.057700      -2.878300      0.2807000    
 C   -3.729100     -0.3613000      -1.220500    
 C   -4.174500      0.2172000       1.082400    
 C    2.394700      -3.062700      0.6204000    
 C   -4.532200      -1.494600      -1.091200    
 C   -4.977500     -0.9161000       1.211800    
 C   -5.156300      -1.771900      0.1249000    
 C    5.930400     -7.6099999E-02 -0.5822000    
 H   -2.798300       2.147300      -1.270100    
 H   -3.088400       2.493000      0.3855000    
 H   -1.789900       1.452100       2.123600    
 H  -0.1518000      0.9809000       1.795100    
 H    1.588200       2.820800     -0.8770000    
 H  -0.4506000      -1.516600     -0.3563000    
 H    3.943700       2.493400     -0.2651000    
 H  -0.2434000       3.256900       2.736200    
 H   0.3652000       3.370600       1.082100    
 H   -1.307300       3.801000       1.431800    
 H    4.316300      -2.166400      0.8580000    
 H   0.3684000      -3.717200      0.3131000    
 H   -3.267700     -0.1586000      -2.180500    
 H   -4.053800      0.8788000       1.934900    
 H    2.748600      -4.045300      0.9186000    
 H   -1.618100       1.106000      -2.362900    
 H   -4.674600      -2.159100      -1.938400    
 H   -5.465500      -1.130800       2.158100    
 H   -5.782700      -2.653400      0.2252000    
 H    6.926800     -0.2222000     -0.1562000    
 H    5.978300      0.7418000      -1.308200    
 H    5.626000      -1.000900      -1.082300    


%chk=000044733-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044733

0 1
O 5.135998 -0.333599 -0.096067
N -1.235441 1.302387 0.047384
N -0.664522 1.219668 -2.334475
C 1.057329 0.715927 -0.741477
C -2.656801 1.650005 -0.165367
C 1.409677 -0.557006 -0.152419
C -0.369616 1.104346 -1.049868
C -0.758401 1.425273 1.447891
C 2.805336 -0.885912 0.053165
C -3.607325 0.457781 -0.053077
C 2.075731 1.589758 -1.129784
C 3.814830 0.068339 -0.340701
C 0.425190 -1.533042 0.222698
C 3.454550 1.286051 -0.928844
C -0.390664 2.874714 1.837547
C 3.162100 -2.149653 0.623551
C 0.797480 -2.761541 0.773033
C -3.383549 -0.716710 -0.818994
C -4.734747 0.512950 0.802317
C 2.176519 -3.073550 0.979938
C -4.275212 -1.807480 -0.732499
C -5.628479 -0.580173 0.891900
C -5.401247 -1.743696 0.123220
C 6.206703 0.581575 -0.495659
H -2.768942 2.129751 -1.157822
H -2.942319 2.420611 0.574499
H -1.557641 1.039601 2.109720
H 0.114281 0.771674 1.594973
H 1.801006 2.526877 -1.624376
H -0.633380 -1.302698 0.065627
H 4.209167 2.010224 -1.247952
H -0.088767 2.921189 2.900434
H 0.452410 3.236233 1.222739
H -1.242563 3.565492 1.696149
H 4.222718 -2.373830 0.766383
H 0.027871 -3.492051 1.046447
H -2.515776 -0.772718 -1.486621
H -4.916204 1.414208 1.402147
H 2.458205 -4.039619 1.413048
H -1.645013 1.511067 -2.528470
H -4.094789 -2.705957 -1.333513
H -6.495375 -0.524293 1.560066
H -6.092135 -2.591592 0.189559
H 7.140369 0.072361 -0.215376
H 6.129684 1.546624 0.041791
H 6.191255 0.762533 -1.587762


