%chk=000085514.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085514

0 1
 O  -1.6799999E-02   1.945600      0.5686000    
 N  -0.4846000      0.6755000      0.2501000    
 C   0.3032000     -0.4111000     -2.0199999E-02
 C   -1.814700      0.3314000      0.1617000    
 C   -1.867500      -1.022400     -0.1771000    
 C  -0.5238000      -1.477600     -0.2884000    
 C    1.747400     -0.3572000     -4.0000002E-03
 C   -2.963500       1.107200      0.3536000    
 C   -3.127200      -1.634000     -0.3327000    
 C   -4.201900      0.4790000      0.1944000    
 C   -4.284900     -0.8705000     -0.1435000    
 C    2.443200     -3.8100000E-02  -1.168700    
 C    2.440200     -0.6248000       1.175100    
 C    3.837000      1.3200000E-02  -1.154200    
 C    3.834100     -0.5733000       1.189500    
 C    4.532400     -0.2543000      2.4900001E-02
 C   0.1471000       2.711300     -0.6290000    
 H  -0.2027000      -2.480200     -0.5386000    
 H   -2.903100       2.157700      0.6174000    
 H   -3.206300      -2.684900     -0.5958000    
 H   -5.113900       1.053100      0.3367000    
 H   -5.259300      -1.337000     -0.2618000    
 H    1.917200      0.1660000      -2.098200    
 H    1.910400     -0.8747000       2.091200    
 H    4.380900      0.2600000      -2.061300    
 H    4.375800     -0.7815000       2.107600    
 H    5.617700     -0.2146000      3.6200002E-02
 H   0.4804000       3.712400     -0.3409000    
 H  -0.8035000       2.809700      -1.163100    
 H   0.9044000       2.277700      -1.285100    


%chk=000085514-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000085514

0 1
O -0.095858 1.815917 1.041355
N -0.522040 0.579382 0.468328
C 0.318241 -0.374807 -0.161674
C -1.871263 0.274536 0.266347
C -1.898842 -0.952558 -0.489572
C -0.529379 -1.331695 -0.744620
C 1.787778 -0.330317 -0.128279
C -3.037283 0.947911 0.685677
C -3.161119 -1.520894 -0.812191
C -4.272338 0.363931 0.337271
C -4.332770 -0.857539 -0.400634
C 2.526194 -0.979111 -1.160236
C 2.508548 0.310693 0.921168
C 3.935006 -0.995698 -1.140260
C 3.919601 0.297554 0.931746
C 4.641575 -0.354829 -0.094406
C 0.082071 2.848245 -0.027131
H -0.192313 -2.238961 -1.243776
H -2.980680 1.871718 1.269429
H -3.219802 -2.459723 -1.374051
H -5.204119 0.850984 0.645675
H -5.312215 -1.283190 -0.645588
H 1.987037 -1.455163 -1.986685
H 1.958923 0.803729 1.727791
H 4.483144 -1.499623 -1.944218
H 4.456550 0.790923 1.749804
H 5.737003 -0.363854 -0.080817
H 0.344394 3.763094 0.526169
H -0.860402 2.986101 -0.585811
H 0.902058 2.556843 -0.706411


