%chk=000028509.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028509

0 1
 O    1.533700       2.087000       1.264100    
 N   -2.337400       2.687700     -0.3143000    
 N   -3.504000      -3.887400      0.3357000    
 C   0.8255000       1.068600      0.5268000    
 C  -0.5603000       1.461200      0.2003000    
 C   -1.683800      0.5942000      9.4899997E-02
 C    1.673100      0.7594000     -0.7337000    
 C   -2.785700       1.388900     -0.2289000    
 C  -0.9938000       2.741400     -5.6699999E-02
 C    2.932500     -1.8500000E-02 -0.4321000    
 C   -1.869600     -0.7945000      0.2442000    
 C   -4.069300      0.8620000     -0.4114000    
 C   -3.147900      -1.335500      6.4599998E-02
 C   -4.229400     -0.5181000     -0.2581000    
 C    4.101400      0.6678000     -0.1453000    
 C    2.894800      -1.403300     -0.4482000    
 C    5.264300     -5.0600000E-02  0.1330000    
 C    4.057600      -2.121600     -0.1698000    
 C    5.242400      -1.445200      0.1209000    
 C   -3.344500      -2.743700      0.2142000    
 H   0.8045000      0.1907000       1.183600    
 H    1.941200       1.689700      -1.253300    
 H    1.077000      0.1826000      -1.454400    
 H  -0.4717000       3.687800     -8.2699999E-02
 H   -2.916800       3.485500     -0.5359000    
 H   -1.026400      -1.433800      0.4942000    
 H   -4.911700       1.497700     -0.6627000    
 H    1.677600       2.844800      0.6720000    
 H   -5.221200     -0.9444000     -0.3966000    
 H    4.129300       1.753500     -0.1338000    
 H    1.976200      -1.938600     -0.6706000    
 H    6.186900      0.4760000      0.3592000    
 H    4.040400      -3.207500     -0.1786000    
 H    6.147800      -2.004500      0.3379000    


%chk=000028509-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000028509

0 1
O 1.683993 2.302960 0.957636
N -2.458191 2.795640 0.168692
N -3.437094 -3.885318 -0.678379
C 0.879874 1.129815 0.565849
C -0.567617 1.519781 0.340619
C -1.695822 0.646623 0.048178
C 1.509760 0.419715 -0.673553
C -2.869028 1.483205 -0.057623
C -1.076132 2.813973 0.417135
C 2.870494 -0.192544 -0.384377
C -1.842096 -0.752338 -0.109925
C -4.152795 0.960992 -0.331865
C -3.127752 -1.284438 -0.380024
C -4.273692 -0.427886 -0.494671
C 4.070564 0.496251 -0.690239
C 2.961816 -1.468439 0.230437
C 5.329798 -0.068416 -0.385283
C 4.216984 -2.038255 0.537753
C 5.407149 -1.337909 0.231838
C -3.294980 -2.704507 -0.542588
H 0.960835 0.458651 1.441500
H 1.574633 1.164709 -1.492853
H 0.809239 -0.361523 -1.021828
H -0.555635 3.735221 0.666236
H -3.066195 3.611701 0.175005
H -0.989352 -1.432125 -0.017737
H -5.031760 1.608963 -0.412812
H 1.882229 2.828849 0.139848
H -5.249533 -0.874915 -0.706653
H 4.021620 1.480125 -1.173580
H 2.043833 -2.023715 0.464368
H 6.247321 0.479280 -0.628773
H 4.267812 -3.026385 1.008866
H 6.382416 -1.778440 0.467300


