%chk=000019667.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019667

1 1
 O   -1.911600      0.1708000       1.084900    
 N    1.289700       1.780500      4.2399999E-02
 C   0.3833000      0.8037000      0.7776000    
 C    2.733000       1.551800      0.4673000    
 C    1.161700       1.560300      -1.458200    
 C   0.8806000       3.206300      0.3826000    
 C   -1.056100       1.056100      0.3744000    
 C    3.221300      0.1650000      0.1678000    
 C    3.066700     -0.8394000       1.116900    
 C    3.823700     -0.1037000      -1.056400    
 C    3.520300      -2.128800      0.8386000    
 C    4.277200      -1.393100      -1.334700    
 C   -3.074900     -0.1978000      0.4612000    
 C    4.125400      -2.405600     -0.3871000    
 C   -3.685000      0.6774000     -0.4301000    
 C   -3.633000      -1.443000      0.7270000    
 C   -4.869400      0.3024000      -1.064100    
 C   -4.817400      -1.817900      9.2699997E-02
 C   -5.435600     -0.9451000     -0.8028000    
 H   0.6420000     -0.2230000      0.5038000    
 H   0.5268000      0.9328000       1.856900    
 H    2.796900       1.763900       1.542600    
 H    3.355100       2.299200     -4.2399999E-02
 H   0.2248000       1.998300      -1.814600    
 H    1.983700       2.084100      -1.956300    
 H    1.180300      0.4903000      -1.682300    
 H    1.662100       3.878700      1.3900000E-02
 H  -5.6699999E-02   3.464100     -0.1164000    
 H   0.7944000       3.298300       1.469300    
 H   -1.382400       2.067900      0.6280000    
 H   -1.165200      0.8883000     -0.7014000    
 H    2.608300     -0.6369000       2.081000    
 H    3.961400      0.6759000      -1.800100    
 H    3.404800      -2.916400       1.577400    
 H    4.751200      -1.608200      -2.287900    
 H    4.479900      -3.409200     -0.6034000    
 H   -3.295700       1.669000     -0.6392000    
 H   -3.154600      -2.125400       1.423800    
 H   -5.355000      0.9844000      -1.756100    
 H   -5.258500      -2.789200      0.2964000    
 H   -6.358700      -1.236500      -1.295300    


%chk=000019667-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000019667

1 1
O -1.828144 -0.183822 0.465264
N 1.326855 1.794631 -0.051068
C 0.299909 0.739302 0.387357
C 2.724414 1.456232 0.625271
C 1.480706 1.811189 -1.567143
C 0.920052 3.182300 0.437389
C -1.133775 0.948323 -0.132332
C 3.314593 0.116879 0.257655
C 3.046219 -1.031684 1.050890
C 4.208048 0.003059 -0.841898
C 3.634250 -2.274360 0.732200
C 4.795948 -1.239800 -1.160739
C -3.218141 -0.330922 0.180155
C 4.505246 -2.381286 -0.377253
C -3.952972 0.558583 -0.634838
C -3.830378 -1.452614 0.781652
C -5.330826 0.309639 -0.845297
C -5.203159 -1.684800 0.561340
C -5.959348 -0.805918 -0.252321
H 0.671535 -0.239765 0.047180
H 0.284160 0.741151 1.490813
H 2.527375 1.535780 1.708291
H 3.380870 2.288805 0.318188
H 0.535556 2.133776 -2.027346
H 2.279343 2.520235 -1.834423
H 1.746674 0.802413 -1.912902
H 1.734237 3.890442 0.219361
H 0.006231 3.506890 -0.080483
H 0.739718 3.143524 1.522544
H -1.577330 1.904282 0.214370
H -1.192973 0.902182 -1.239211
H 2.396294 -0.953408 1.931293
H 4.466777 0.889367 -1.435001
H 3.426301 -3.151649 1.352615
H 5.488925 -1.315974 -2.004473
H 4.967700 -3.343501 -0.619374
H -3.489634 1.431454 -1.106133
H -3.230701 -2.120967 1.406725
H -5.908384 0.993992 -1.475650
H -5.682685 -2.552831 1.025268
H -7.024683 -0.990829 -0.420234


