%chk=000029808.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029808

0 1
 N    3.213000     -0.3097000      8.7399997E-02
 N   -1.348400     -0.1074000     -0.4615000    
 N  -0.9803000      -2.260200     -4.8599999E-02
 N  -0.9869000       3.587200      4.3600000E-02
 C    3.987900      0.1058000       1.265000    
 C    3.784300      -1.517100     -0.5255000    
 C    1.813300     -0.5326000      0.4487000    
 C    5.444300      0.3907000      0.8947000    
 C    5.234100      -1.285100     -0.9546000    
 C    6.089300     -0.8120000      0.2153000    
 C   0.9843000     -0.9196000     -0.7776000    
 C   -1.085200       1.265200     -0.8311000    
 C  -0.4658000      -1.129000     -0.4172000    
 C   -2.562700     -0.6204000     -8.3800003E-02
 C   -1.352500       2.209300      0.3561000    
 C   -2.306700      -1.965400      0.1685000    
 C   -1.849300       1.659200      -2.100900    
 C   -3.824600     -4.1299999E-02  5.4600000E-02
 C   -3.360400      -2.796800      0.5843000    
 C   -4.861600     -0.8833000      0.4695000    
 C   0.4666000       3.714800     -0.2420000    
 C   -1.396900       4.484600       1.124900    
 C   -4.635800      -2.236800      0.7301000    
 H    3.951700     -0.6631000       2.048200    
 H    3.558400       1.022200       1.687900    
 H    3.264100      -1.794000      -1.446400    
 H    3.731600      -2.372200      0.1610000    
 H    1.722900      -1.308900       1.221000    
 H    1.401000      0.3892000      0.8784000    
 H    6.010500      0.6540000       1.795200    
 H    5.489700       1.257600      0.2233000    
 H    5.265900     -0.5360000      -1.756200    
 H    5.652200      -2.211000      -1.365900    
 H    7.094700     -0.5527000     -0.1339000    
 H    6.199700      -1.626900      0.9412000    
 H    1.300600      -1.896300      -1.163300    
 H    1.117700     -0.2221000      -1.610400    
 H  -2.7500000E-02   1.325200      -1.080600    
 H  -0.8056000       1.856200       1.241600    
 H   -2.412300       2.189100      0.6241000    
 H   -1.720200      0.9035000      -2.884200    
 H   -2.922000       1.779400      -1.928800    
 H   -1.478000       2.608600      -2.501100    
 H   -4.028800       1.001100     -0.1509000    
 H   -3.195400      -3.849700      0.7892000    
 H   -5.862800     -0.4765000      0.5888000    
 H   0.7341000       3.254200      -1.196700    
 H   0.7349000       4.773100     -0.3413000    
 H    1.077000       3.282300      0.5582000    
 H   -1.175100       5.525400      0.8644000    
 H   -2.478800       4.427900       1.288500    
 H  -0.8895000       4.249200       2.067300    
 H   -5.462000      -2.866300       1.050500    


%chk=000029808-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000029808

0 1
N 3.079523 -0.376009 0.018760
N -1.431077 -0.224610 -0.466537
N -1.251290 -2.488102 -0.109344
N -0.464879 3.396443 0.135252
C 3.786283 0.270086 1.158439
C 3.895017 -1.477574 -0.562341
C 1.722859 -0.822168 0.422774
C 5.152346 0.838221 0.724800
C 5.267022 -0.964949 -1.044516
C 6.031660 -0.271681 0.104615
C 0.871049 -1.317269 -0.780464
C -1.027041 1.153662 -0.838024
C -0.595673 -1.366733 -0.462859
C -2.714782 -0.663414 -0.083813
C -1.177202 2.122057 0.372914
C -2.580291 -2.079229 0.134509
C -1.764350 1.663888 -2.093371
C -3.951600 -0.003394 0.094202
C -3.694181 -2.850062 0.536022
C -5.052357 -0.790139 0.495564
C 0.993429 3.300334 0.355943
C -1.057245 4.538384 0.862039
C -4.928647 -2.193243 0.713813
H 3.943969 -0.458843 1.997852
H 3.142043 1.082053 1.547527
H 3.344703 -1.916148 -1.413144
H 4.049489 -2.296281 0.191077
H 1.753334 -1.634807 1.192092
H 1.220393 0.043545 0.896752
H 5.654215 1.293677 1.600243
H 4.986243 1.639375 -0.021634
H 5.108917 -0.244925 -1.870802
H 5.852213 -1.813806 -1.447533
H 6.988439 0.147217 -0.260144
H 6.280960 -1.020880 0.884585
H 1.162422 -2.342291 -1.061746
H 1.077834 -0.659959 -1.646478
H 0.048546 1.097618 -1.079913
H -0.818859 1.599616 1.295763
H -2.247596 2.348424 0.528384
H -1.518910 1.044380 -2.973799
H -2.859942 1.646387 -1.961623
H -1.448792 2.703963 -2.283956
H -4.075787 1.071916 -0.064662
H -3.584177 -3.926349 0.700770
H -6.025830 -0.308920 0.642901
H 1.434384 2.494291 -0.256283
H 1.475521 4.247690 0.056159
H 1.257138 3.100596 1.426735
H -0.546862 5.471444 0.562049
H -2.125420 4.635987 0.599521
H -0.979268 4.449032 1.974824
H -5.809197 -2.765899 1.025104


