%chk=000027415.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027415

0 1
 O   7.3000002E-03  -2.814100     -0.4116000    
 N   -3.729300      0.5543000      0.7503000    
 N    1.008200     -3.6300000E-02 -0.6222000    
 C   -2.832900      0.2166000     -0.3818000    
 C   -1.343400      0.2724000      6.5499999E-02
 C   -1.012700       1.633800      0.6931000    
 C   -3.183100      -1.182500     -0.9338000    
 C   -3.429900       1.881500       1.307700    
 C  -0.3662000      2.9000000E-03  -1.083500    
 C   -1.992800       1.963500       1.807900    
 C   -5.147900      0.4963000      0.3639000    
 C   -4.655900      -1.304000      -1.307900    
 C   -5.535200     -0.8904000     -0.1396000    
 C    1.669600      -1.150900     -0.1841000    
 C    1.837600       1.062000     -0.5582000    
 C    2.947100     -0.7708000      0.1802000    
 C    3.067700      0.6276000     -5.6100000E-02
 C    3.943900      -1.743100      0.7110000    
 C    1.151400      -2.496200     -9.7800002E-02
 C    3.227200      -2.965800       1.306900    
 C    2.169400      -3.542500      0.3539000    
 C    1.592600       2.395900     -0.9042000    
 C    4.102600       1.570700      0.1077000    
 C    2.634200       3.311800     -0.7326000    
 C    3.870900       2.907600     -0.2346000    
 H   -2.982000      0.9495000      -1.188400    
 H   -1.193200     -0.4949000      0.8393000    
 H   -1.076900       2.427600     -5.8100000E-02
 H  -2.0700000E-02   1.645100       1.149800    
 H   -2.935300      -1.950200     -0.1891000    
 H   -2.598500      -1.405500      -1.831500    
 H   -4.093800       2.086000       2.156700    
 H   -3.607000       2.666800      0.5608000    
 H  -0.4466000      0.7823000      -1.850700    
 H  -0.5638000     -0.9289000      -1.613900    
 H   -1.850700       1.267700       2.644600    
 H   -1.792100       2.970200       2.192200    
 H   -5.371600       1.244700     -0.4079000    
 H   -5.778300      0.7269000       1.231700    
 H   -4.884100      -2.333800      -1.604200    
 H   -4.868200     -0.6650000      -2.173800    
 H   -6.586800     -0.8930000     -0.4481000    
 H   -5.437800      -1.620900      0.6734000    
 H    4.603100      -2.062200     -0.1050000    
 H    4.568900      -1.275100       1.479400    
 H    3.962300      -3.738100       1.559200    
 H    2.735600      -2.670700       2.243600    
 H    1.631500      -4.353100      0.8576000    
 H    2.649300      -3.953100     -0.5418000    
 H   0.6546000       2.727000      -1.333200    
 H    5.072400       1.270700      0.4942000    
 H    2.479000       4.353500      -1.001400    
 H    4.666800       3.637500     -0.1120000    


%chk=000027415-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000027415

0 1
O -0.020382 -2.803917 -0.157520
N -3.826411 0.467643 0.757744
N 1.004788 0.014488 -0.614511
C -2.879593 0.252454 -0.381458
C -1.409979 0.215310 0.145240
C -1.081432 1.474505 0.980201
C -3.247967 -1.055150 -1.130661
C -3.523718 1.693400 1.536646
C -0.413333 0.035999 -1.032984
C -2.102594 1.651368 2.118501
C -5.247975 0.475516 0.324258
C -4.726674 -1.094408 -1.569081
C -5.646140 -0.843409 -0.357415
C 1.697875 -1.094739 -0.072711
C 1.897595 1.085078 -0.687630
C 3.035116 -0.727929 0.200985
C 3.182395 0.646670 -0.185602
C 4.040688 -1.687737 0.783307
C 1.172352 -2.446595 0.118413
C 3.310670 -2.839596 1.519217
C 2.203150 -3.462805 0.635529
C 1.701627 2.407459 -1.157360
C 4.273783 1.559751 -0.156923
C 2.800373 3.283962 -1.122092
C 4.076249 2.868313 -0.625076
H -2.965729 1.113239 -1.107647
H -1.328214 -0.677590 0.796195
H -1.109634 2.371918 0.324701
H -0.054536 1.406523 1.383804
H -3.027406 -1.910353 -0.463371
H -2.603161 -1.164103 -2.021420
H -4.270162 1.771995 2.349918
H -3.630051 2.614819 0.901083
H -0.534927 0.859304 -1.762691
H -0.614451 -0.917178 -1.543149
H -2.027992 0.804272 2.827071
H -1.901792 2.582683 2.682131
H -5.448237 1.325691 -0.383558
H -5.872885 0.646930 1.221419
H -4.955657 -2.066390 -2.045658
H -4.909081 -0.308806 -2.332403
H -6.707733 -0.796109 -0.668312
H -5.542522 -1.671114 0.370189
H 4.675237 -2.110153 -0.025032
H 4.728112 -1.163162 1.474040
H 4.034448 -3.621945 1.815140
H 2.855555 -2.445601 2.448652
H 1.648936 -4.253084 1.172284
H 2.662934 -3.945027 -0.253612
H 0.731490 2.746858 -1.532733
H 5.252678 1.244005 0.220992
H 2.677034 4.312212 -1.480355
H 4.903784 3.585830 -0.613194


