%chk=000041982.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041982

0 1
 N   -2.878800      -1.434500      0.7518000    
 C   -1.695300      -2.132300       1.221700    
 C   -2.307700      -2.485100     -0.1000000    
 C   5.2099999E-02 -0.6240000      4.4999998E-03
 C  -0.3566000      -1.464100       1.272500    
 C   -1.656400      -2.071000      -1.374900    
 C  -0.2055000      -1.601800      -1.202000    
 C  -0.7228000      0.7157000     -8.0499999E-02
 C    1.571000     -0.2674000      3.4499999E-02
 C   -1.032300       1.259300      -1.324600    
 C    1.990600      0.9362000      0.5971000    
 C   -1.105700       1.369900       1.087700    
 C    2.502900      -1.153600     -0.5017000    
 C   -1.729600       2.465000      -1.401000    
 C    3.348300       1.254900      0.6237000    
 C   -1.803100       2.575500       1.011400    
 C    3.860600     -0.8350000     -0.4749000    
 C   -2.115000       3.123100     -0.2331000    
 C    4.283400      0.3693000      8.7800004E-02
 H   -1.853200      -2.808100       2.052600    
 H   -2.907300      -3.380600     -0.1848000    
 H  -0.2510000     -0.9056000       2.207500    
 H   0.3773000      -2.277500       1.379600    
 H   -2.690100     -0.5218000      0.3560000    
 H   -2.253200      -1.289800      -1.860000    
 H   -1.663400      -2.920200      -2.069600    
 H   0.3483000      -2.536100      -1.043400    
 H   0.1581000      -1.191600      -2.152200    
 H  -0.7323000      0.7875000      -2.253800    
 H    1.333700       1.660500       1.057400    
 H  -0.8722000       1.001100       2.079100    
 H    2.250800      -2.114300     -0.9310000    
 H   -1.968400       2.894300      -2.369600    
 H    3.679400       2.189400       1.067600    
 H   -2.099100       3.091000       1.920400    
 H    4.590200      -1.526500     -0.8866000    
 H   -2.656000       4.062900     -0.2926000    
 H    5.340800      0.6162000      0.1113000    


%chk=000041982-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000041982

0 1
N -2.940805 -1.604864 1.133323
C -1.562858 -2.202271 1.386092
C -2.323019 -2.562553 0.118557
C 0.040273 -0.649978 -0.023117
C -0.249458 -1.421620 1.313627
C -1.810642 -2.027692 -1.224714
C -0.316414 -1.632943 -1.182361
C -0.748406 0.681992 -0.168999
C 1.555745 -0.296164 -0.015907
C -0.724655 1.365902 -1.414745
C 2.029804 0.704571 0.875657
C -1.438945 1.300559 0.905958
C 2.506756 -0.958859 -0.833590
C -1.382799 2.601217 -1.589340
C 3.400707 1.025591 0.955266
C -2.097179 2.541850 0.738560
C 3.882344 -0.635518 -0.761230
C -2.078050 3.197497 -0.511264
C 4.338179 0.355127 0.135150
H -1.582035 -2.925746 2.211103
H -2.840974 -3.527323 0.082362
H -0.150416 -0.747929 2.186700
H 0.564400 -2.165720 1.426346
H -2.865037 -0.631162 0.779788
H -2.424847 -1.163510 -1.546293
H -1.944716 -2.807425 -1.997799
H 0.279128 -2.556073 -1.040727
H -0.021565 -1.209647 -2.160772
H -0.169973 0.936986 -2.257008
H 1.315449 1.253618 1.499862
H -1.469019 0.824931 1.892051
H 2.188104 -1.731056 -1.540040
H -1.347082 3.102846 -2.563173
H 3.736986 1.803160 1.650698
H -2.625644 2.990525 1.587414
H 4.595823 -1.159859 -1.407569
H -2.590121 4.156996 -0.643011
H 5.403462 0.605440 0.191048


