%chk=000025291.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025291

0 1
 N   -1.017500      -1.683800     -0.2269000    
 C   0.3855000      0.5902000      0.3820000    
 C    1.111300     -0.5912000      0.1298000    
 C    1.035800       1.898300      0.7274000    
 C   -1.014800      0.6313000      0.3303000    
 C   -1.704100     -0.5478000      1.6200000E-02
 C    1.344500       2.731100     -0.5216000    
 C   0.3274000      -1.717100     -0.1756000    
 C    2.548400     -0.6933000      0.1687000    
 C   -3.115500     -0.5123000     -3.7200000E-02
 C    3.152400      -1.944000     -0.1057000    
 C   -1.710400       1.820300      0.5860000    
 C    2.040300       4.043300     -0.1608000    
 C   -3.815200      0.6943000      0.2224000    
 C   0.9603000      -2.920900     -0.4374000    
 C   -3.098700       1.851600      0.5322000    
 C    2.347400      -3.043200     -0.4058000    
 C    3.419500      0.3846000      0.4663000    
 C   -3.878300      -1.658800     -0.3465000    
 C    4.550500      -2.086500     -7.8500003E-02
 C    2.383600       4.852000      -1.401800    
 C   -5.218700      0.7210000      0.1672000    
 C    4.808400      0.2316000      0.4905000    
 C    5.374000      -1.004700      0.2179000    
 C   -5.273200      -1.617500     -0.3978000    
 C   -5.942800     -0.4283000     -0.1413000    
 H   0.4146000       2.514100       1.384500    
 H    1.805700       1.786100       1.491200    
 H   0.4183000       2.957500      -1.064800    
 H    1.970800       2.166300      -1.222800    
 H   -1.271800       2.790200      0.7816000    
 H    1.391200       4.640900      0.4897000    
 H    2.960600       3.840600      0.3985000    
 H   0.3689000      -3.803600     -0.6759000    
 H   -3.613400       2.790900      0.7235000    
 H    2.788600      -4.014700     -0.6202000    
 H    3.194100       1.422900      0.5602000    
 H   -3.392300      -2.610400     -0.5542000    
 H    5.012600      -3.048700     -0.2913000    
 H    1.481500       5.100700      -1.969900    
 H    3.060700       4.295500      -2.057600    
 H    2.876500       5.787700      -1.120100    
 H   -5.762800       1.642600      0.3651000    
 H    5.448300       1.086200      0.6925000    
 H    6.452800      -1.127000      0.2283000    
 H   -5.833300      -2.516300     -0.6386000    
 H   -7.027500     -0.3938000     -0.1806000    


%chk=000025291-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000025291

0 1
N -1.054630 -1.744269 -0.060409
C 0.446752 0.668395 0.374371
C 1.139801 -0.566583 0.131046
C 1.141751 1.965350 0.771852
C -0.990820 0.680833 0.307296
C -1.701600 -0.549631 0.035758
C 1.332923 2.979251 -0.394775
C 0.309430 -1.761800 0.010187
C 2.605867 -0.753528 0.044983
C -3.160965 -0.552828 -0.093536
C 3.148362 -2.095608 0.095654
C -1.776679 1.885596 0.504024
C 2.122307 4.234597 0.038965
C -3.886744 0.673974 0.083774
C 0.904882 -3.080447 0.013027
C -3.154334 1.881738 0.395101
C 2.266716 -3.243124 0.106788
C 3.551661 0.303820 -0.150350
C -3.875878 -1.749299 -0.388095
C 4.559102 -2.309438 0.072545
C 2.283494 5.262212 -1.101701
C -5.308997 0.670797 -0.043804
C 4.936566 0.072569 -0.192445
C 5.455283 -1.240807 -0.051001
C -5.273395 -1.732024 -0.510860
C -5.995753 -0.515240 -0.338751
H 0.544224 2.461165 1.560169
H 2.116034 1.748540 1.241160
H 0.340802 3.279337 -0.785331
H 1.847639 2.492225 -1.247158
H -1.272324 2.827538 0.734960
H 1.608717 4.710583 0.899422
H 3.123118 3.929150 0.408986
H 0.212027 -3.925179 -0.036353
H -3.718408 2.810648 0.542433
H 2.712419 -4.243824 0.146838
H 3.208481 1.321303 -0.325032
H -3.300228 -2.670677 -0.512653
H 4.931070 -3.339352 0.130551
H 1.298321 5.609362 -1.465657
H 2.820831 4.820572 -1.961887
H 2.851865 6.149463 -0.767842
H -5.857965 1.610243 0.092424
H 5.617877 0.916006 -0.350260
H 6.536043 -1.416566 -0.070278
H -5.814358 -2.656993 -0.738954
H -7.087082 -0.510150 -0.436085


