%chk=000031470.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031470

0 1
 N   -3.431600     -0.6657000     -0.4247000    
 C   0.7869000      3.1599998E-02  0.5524000    
 C  -0.4848000     -0.2266000     -0.2705000    
 C   -1.176100      -1.506600      0.1858000    
 C   -2.472700      -1.759700     -0.5761000    
 C   -3.837500     -0.5287000      0.9811000    
 C   -4.596300     -0.8789000      -1.295400    
 C   -4.803000      0.6431000       1.165200    
 C   -5.586700      0.2813000      -1.185700    
 C   -6.020700      0.5057000      0.2583000    
 C    1.778800      -1.114600      0.4493000    
 C    1.312300       1.449200      0.3454000    
 C    2.569000      -1.344300     -0.6879000    
 C    2.315500       1.852800     -0.5581000    
 C    2.548500     -0.3977000      -1.853700    
 C    3.124200      0.9575000      -1.470400    
 C    1.871300      -2.020900       1.525100    
 C   0.6836000       2.448100       1.131500    
 C    3.426500      -2.458700     -0.7272000    
 C    2.673000       3.222100     -0.6071000    
 C    2.727300      -3.121100       1.476500    
 C    1.042500       3.792500       1.054700    
 C    3.505000      -3.341200      0.3477000    
 C    2.044900       4.180900      0.1839000    
 H   0.4661000      2.2800000E-02   1.606300    
 H   -1.166600      0.6234000     -0.1416000    
 H  -0.2815000     -0.2815000      -1.343200    
 H  -0.5296000      -2.368200     -2.0900000E-02
 H   -1.334000      -1.510600       1.269300    
 H   -2.906800      -2.712600     -0.2455000    
 H   -2.221600      -1.880900      -1.638100    
 H   -2.982000     -0.3142000       1.628500    
 H   -4.304700      -1.452500       1.347100    
 H   -5.103400      -1.820400      -1.046200    
 H   -4.271600     -0.9503000      -2.340600    
 H   -4.285300       1.584800      0.9417000    
 H   -5.126300      0.6965000       2.210900    
 H   -6.465400      7.8100003E-02  -1.808300    
 H   -5.123900       1.197300      -1.574700    
 H   -6.632400     -0.3411000      0.5925000    
 H   -6.645500       1.402700      0.3285000    
 H    3.163400     -0.8098000      -2.664900    
 H    1.546100     -0.3078000      -2.277700    
 H    3.284100       1.499800      -2.412900    
 H    4.114500      0.8232000      -1.014000    
 H    1.265400      -1.879500       2.417700    
 H  -0.1102000       2.174500       1.825500    
 H    4.048900      -2.642600      -1.599900    
 H    3.462500       3.551700      -1.281200    
 H    2.781200      -3.805400       2.318000    
 H   0.5398000       4.527600       1.675600    
 H    4.173000      -4.196100      0.3030000    
 H    2.340500       5.223300      0.1167000    


%chk=000031470-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000031470

0 1
N -3.492678 -0.676645 -0.320292
C 0.846700 0.029990 0.565866
C -0.435114 -0.269626 -0.292354
C -1.156206 -1.573526 0.108756
C -2.507944 -1.749770 -0.618251
C -4.053037 -0.780492 1.051138
C -4.574507 -0.621365 -1.337334
C -4.973873 0.415361 1.372315
C -5.508934 0.581320 -1.095847
C -6.106917 0.529964 0.328375
C 1.864297 -1.111934 0.503338
C 1.344662 1.464120 0.295079
C 2.642745 -1.395933 -0.656616
C 2.347173 1.868438 -0.638709
C 2.637118 -0.456241 -1.850106
C 3.211378 0.936315 -1.491630
C 1.982090 -1.970763 1.625521
C 0.675115 2.477537 1.039591
C 3.493138 -2.529431 -0.660655
C 2.621180 3.258494 -0.782325
C 2.835675 -3.096434 1.616564
C 0.959351 3.847838 0.889195
C 3.593315 -3.383613 0.460347
C 1.948737 4.245807 -0.037790
H 0.481359 0.043713 1.613613
H -1.141061 0.573485 -0.173385
H -0.178177 -0.307299 -1.368439
H -0.521965 -2.450965 -0.123125
H -1.308707 -1.590399 1.207378
H -2.926234 -2.762030 -0.376906
H -2.323267 -1.734411 -1.710893
H -3.219782 -0.815789 1.775708
H -4.635157 -1.735122 1.170746
H -5.186490 -1.564313 -1.330636
H -4.105047 -0.542530 -2.336038
H -4.368182 1.342465 1.364549
H -5.390672 0.294533 2.391051
H -6.312061 0.582897 -1.858023
H -4.925808 1.514520 -1.218606
H -6.775815 -0.351830 0.414045
H -6.726520 1.425812 0.523166
H 3.260184 -0.891867 -2.653679
H 1.621670 -0.332392 -2.269796
H 3.449194 1.468798 -2.433209
H 4.181108 0.779917 -0.974962
H 1.391523 -1.751647 2.524091
H -0.093284 2.170314 1.760981
H 4.090010 -2.739557 -1.557210
H 3.390171 3.564025 -1.503954
H 2.906315 -3.739769 2.500795
H 0.420254 4.592132 1.485767
H 4.257145 -4.255058 0.432749
H 2.190435 5.305259 -0.178254


