%chk=000070840.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000070840

0 1
 N   0.6187000       1.515200      0.5123000    
 N  -0.7229000       1.588300      0.5372000    
 C    1.097300      0.3050000      0.1034000    
 C   -1.103700      0.3736000      0.1273000    
 C    2.504100      1.2700000E-02  3.1999999E-03
 C  -8.3999997E-03 -0.4673000     -0.1567000    
 C   -2.496300      4.0600002E-02  1.4800000E-02
 C    2.964500      -1.290500      0.1994000    
 C    3.410700       1.033000     -0.2894000    
 C   -2.916500      -1.275400      0.2079000    
 C   -3.428500       1.033200     -0.2874000    
 C    4.327300      -1.572500      0.1032000    
 C    4.773400      0.7511000     -0.3857000    
 C   -4.269000      -1.598800      9.8999999E-02
 C   -4.781100      0.7098000     -0.3963000    
 C    5.231600     -0.5518000     -0.1893000    
 C   -5.201200     -0.6063000     -0.2031000    
 H  -1.6400000E-02  -1.488900     -0.5114000    
 H    1.141200       2.334200      0.7979000    
 H    2.282100      -2.103600      0.4349000    
 H    3.085000       2.056400     -0.4589000    
 H   -2.215900      -2.069100      0.4548000    
 H   -3.131100       2.066000     -0.4518000    
 H    4.684600      -2.586500      0.2576000    
 H    5.477800       1.545100     -0.6160000    
 H   -4.596800      -2.623000      0.2517000    
 H   -5.507100       1.482000     -0.6333000    
 H    6.292600     -0.7713000     -0.2645000    
 H   -6.254300     -0.8580000     -0.2878000    


%chk=000070840-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000070840

0 1
N 0.636501 1.632744 0.125059
N -0.744046 1.693199 0.131238
C 1.140228 0.340367 0.014037
C -1.138402 0.377216 0.004446
C 2.578067 0.034423 -0.010631
C 0.003384 -0.487202 -0.065433
C -2.571708 0.028781 -0.040801
C 3.039006 -1.262441 0.348500
C 3.538194 1.014539 -0.389931
C -2.993014 -1.323296 -0.153397
C -3.561874 1.047645 0.031052
C 4.414612 -1.569477 0.327883
C 4.915437 0.708880 -0.399281
C -4.365669 -1.649551 -0.191884
C -4.932218 0.720262 -0.007204
C 5.361366 -0.584657 -0.041638
C -5.342866 -0.630120 -0.118726
H 0.008320 -1.566396 -0.197261
H 1.159186 2.493435 0.271835
H 2.315613 -2.022935 0.661890
H 3.212097 2.010626 -0.713576
H -2.249828 -2.126551 -0.210547
H -3.237145 2.089321 0.116774
H 4.750464 -2.573676 0.608806
H 5.639350 1.475229 -0.697385
H -4.672755 -2.697884 -0.279225
H -5.682562 1.516956 0.049855
H 6.430419 -0.822673 -0.053031
H -6.408459 -0.883562 -0.148422


