%chk=000040538.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040538

0 1
 N    2.737700      -1.828500      2.8100001E-02
 C    1.938200      0.9424000     -0.5960000    
 C  -0.1746000       2.036000      0.4651000    
 C   0.9581000     -0.1660000     -0.1288000    
 C  -0.2357000      0.4896000      0.6307000    
 C    2.339800       1.854800      0.5784000    
 C    1.203400       1.807700      -1.638200    
 C    1.099500       2.525600       1.185300    
 C  -4.7499999E-02   2.440700      -1.015300    
 C    1.646600      -1.229300      0.7325000    
 C   -1.610500     -7.7900000E-02  0.3106000    
 C   -2.561500     -0.1990000       1.320200    
 C   -1.910700     -0.4727000     -0.9903000    
 C    2.288600      -2.482800      -1.214100    
 C    3.449000      -2.812600      0.8637000    
 C   -3.822100     -0.7191000       1.026800    
 C   -3.171400     -0.9928000      -1.283700    
 C   -4.127000      -1.115900     -0.2751000    
 H    2.836100      0.5237000      -1.062200    
 H   -1.054200       2.515400      0.9105000    
 H   0.5877000     -0.6588000      -1.026800    
 H  -8.3700001E-02  0.2870000       1.702200    
 H    3.035400       2.627600      0.2283000    
 H    2.877500       1.291300       1.348400    
 H   0.9216000       1.202000      -2.507800    
 H    1.869200       2.595200      -2.012000    
 H    1.042900       2.301700       2.257300    
 H    1.187300       3.615600       1.100600    
 H   1.6400000E-02   3.532800      -1.099500    
 H  -0.9390000       2.148200      -1.579700    
 H   0.9061000      -1.983800       1.032300    
 H    2.005700     -0.7717000       1.662300    
 H   -2.338400      0.1094000       2.338000    
 H   -1.218600     -0.3559000      -1.816800    
 H    2.025500      -1.758400      -1.990400    
 H    1.443900      -3.160300      -1.044500    
 H    3.105300      -3.071700      -1.649700    
 H    4.324000      -3.206300      0.3349000    
 H    2.803500      -3.651600       1.147200    
 H    3.822600      -2.337400       1.777600    
 H   -4.566800     -0.8137000       1.811800    
 H   -3.413100      -1.292400      -2.299300    
 H   -5.109500      -1.518300     -0.5041000    


%chk=000040538-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000040538

0 1
N 2.701128 -1.976811 -0.092787
C 1.997975 1.034760 -0.538142
C -0.189066 2.077178 0.429689
C 0.995883 -0.098221 -0.171504
C -0.220007 0.515176 0.609412
C 2.334066 1.900813 0.705709
C 1.331868 1.942936 -1.606676
C 1.037823 2.622760 1.208621
C -0.043459 2.464282 -1.064344
C 1.631362 -1.252913 0.637244
C -1.584617 -0.087639 0.273838
C -2.527666 -0.291900 1.316821
C -1.987859 -0.407135 -1.050767
C 2.185388 -2.823356 -1.187708
C 3.577234 -2.743152 0.816502
C -3.822195 -0.791882 1.054598
C -3.281605 -0.907456 -1.320648
C -4.207094 -1.102095 -0.270258
H 2.918945 0.570995 -0.938331
H -1.122926 2.505950 0.842615
H 0.625980 -0.519552 -1.127172
H -0.052711 0.336716 1.694058
H 3.112340 2.639593 0.435586
H 2.770364 1.270768 1.504203
H 1.192076 1.375194 -2.547341
H 2.005153 2.789384 -1.843350
H 0.894720 2.465465 2.295361
H 1.110593 3.716207 1.050421
H -0.109149 3.564928 -1.159715
H -0.887927 2.050301 -1.645243
H 0.816182 -1.950338 0.967188
H 2.082123 -0.836100 1.559513
H -2.237655 -0.057881 2.349442
H -1.288296 -0.272798 -1.884029
H 1.633021 -2.211830 -1.921058
H 1.498903 -3.632459 -0.827824
H 3.031153 -3.298947 -1.716028
H 4.402069 -3.201017 0.240580
H 3.045561 -3.563706 1.364013
H 4.020820 -2.064559 1.566950
H -4.526681 -0.943723 1.880652
H -3.567016 -1.145935 -2.351964
H -5.209505 -1.492200 -0.479627


