%chk=000013697.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013697

0 1
 O  -0.6391000      -2.483300     -0.8569000    
 N   3.6499999E-02 -0.5371000     -0.4009000    
 N  -0.1324000      -1.774000      2.0600000E-02
 C   -1.127700      0.3024000     -0.1248000    
 C    1.239900      0.1073000      0.1215000    
 C   -2.173100      0.1235000      -1.231300    
 C   -1.710300     -5.0099999E-02   1.248300    
 C    2.252500     -0.9568000      0.5590000    
 C    1.837600       1.035000     -0.9421000    
 C   -3.438000      0.9281000     -0.9372000    
 C   -2.975400      0.7552000       1.539200    
 C    3.555500     -0.3209000       1.040200    
 C    3.140800       1.668800     -0.4585000    
 C   -4.014900      0.5888000      0.4343000    
 C    4.148000      0.6131000     -1.1300000E-02
 H  -0.8585000       1.368200     -0.1287000    
 H    1.018100      0.7049000       1.018200    
 H   -2.468800     -0.9259000      -1.344800    
 H   -1.758900      0.4420000      -2.196000    
 H  -0.9846000      0.1431000       2.048000    
 H   -2.006100      -1.104300       1.328600    
 H    2.495000      -1.635800     -0.2707000    
 H    1.876500      -1.563400       1.393300    
 H    1.134000       1.833200      -1.206000    
 H    2.036100      0.4719000      -1.863900    
 H   -4.188300      0.7320000      -1.711500    
 H   -3.207300       1.999600     -0.9812000    
 H   -2.716600       1.816500       1.640200    
 H   -3.403000      0.4395000       2.497800    
 H    4.280600      -1.105200       1.285700    
 H    3.369000      0.2415000       1.963600    
 H    2.928400       2.348200      0.3762000    
 H    3.575400       2.275200      -1.261200    
 H   -4.878000       1.231700      0.6404000    
 H   -4.380400     -0.4455000      0.4303000    
 H    5.041300       1.103100      0.3920000    
 H    4.470300      2.5900001E-02 -0.8801000    


%chk=000013697-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000013697

0 1
O -1.053386 -2.537998 -0.402939
N 0.051642 -0.632140 0.095629
N 0.094651 -1.972113 -0.206502
C -1.204531 0.180900 0.204046
C 1.372100 0.032990 0.307447
C -2.004567 0.240316 -1.124634
C -2.094221 -0.282418 1.388902
C 2.502410 -0.965356 0.645050
C 1.760637 0.907974 -0.916326
C -3.229507 1.174257 -0.964841
C -3.320843 0.652161 1.531979
C 3.818604 -0.201859 0.926902
C 3.086516 1.662314 -0.653587
C -4.128027 0.729654 0.213960
C 4.225436 0.687431 -0.272338
H -0.853379 1.209516 0.430058
H 1.236894 0.705059 1.183100
H -2.337664 -0.777850 -1.390696
H -1.346950 0.599661 -1.939513
H -1.498674 -0.283803 2.322455
H -2.427301 -1.318818 1.204228
H 2.643701 -1.662452 -0.200246
H 2.210021 -1.581996 1.514831
H 0.951933 1.628064 -1.148482
H 1.870526 0.242826 -1.795813
H -3.810454 1.184775 -1.907000
H -2.886143 2.216020 -0.789516
H -2.982076 1.671946 1.812956
H -3.965482 0.291770 2.356469
H 4.622168 -0.927966 1.154170
H 3.698216 0.432314 1.830213
H 2.937205 2.391046 0.170537
H 3.364216 2.249460 -1.549814
H -4.979726 1.427623 0.328978
H -4.555044 -0.268799 -0.010403
H 5.147736 1.252309 -0.036535
H 4.457463 0.039584 -1.142425


