%chk=000050319.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050319

0 1
 N    1.152500     -0.4018000     -0.6203000    
 N    4.224200     -0.4129000      0.6265000    
 C    3.241100     -0.5452000     -0.4181000    
 C    2.224500      0.6051000     -0.4258000    
 C    2.044700      -1.412400     -1.3000000E-03
 C   8.9999996E-03 -0.1123000      0.2714000    
 C   -1.109000      -1.089300      0.1275000    
 C  -0.4499000       1.343800      0.1334000    
 C    5.174800      -1.517500      0.5441000    
 C   -1.929000      -1.376500       1.218800    
 C   -1.010300       1.961600       1.226100    
 C   -1.334200      -1.715900      -1.098100    
 C  -0.2828000       1.972400      -1.077600    
 C   -2.974300      -2.290400       1.084300    
 C   -1.428200       3.286500       1.100500    
 C   -2.379400      -2.629700      -1.232500    
 C  -0.7007000       3.297300      -1.203400    
 C   -3.199400      -2.916900     -0.1413000    
 C   -1.273500       3.954200     -0.1143000    
 H    3.634500     -0.7659000      -1.419600    
 H    2.197900       1.179400      0.5112000    
 H    2.374800       1.302200      -1.257100    
 H    2.006700      -2.394900     -0.4845000    
 H    1.934200      -1.570600       1.080000    
 H   0.3708000     -0.1909000       1.309600    
 H    3.842400     -0.3640000       1.570600    
 H    5.939700      -1.395400       1.317400    
 H    5.687800      -1.531700     -0.4233000    
 H    4.685800      -2.484000      0.7045000    
 H   -1.764200     -0.9064000       2.184200    
 H   -1.127900       1.456900       2.179300    
 H  -0.7258000      -1.503000      -1.972600    
 H   0.1102000       1.479600      -1.960800    
 H   -3.611600      -2.515700       1.934400    
 H   -1.872800       3.798600       1.948900    
 H   -2.557500      -3.115000      -2.187800    
 H  -0.5911000       3.814000      -2.152400    
 H   -4.013400      -3.628200     -0.2462000    
 H   -1.601100       4.985000     -0.2129000    


%chk=000050319-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050319

0 1
N 1.200137 -0.218818 -0.316362
N 4.482250 -0.670345 0.589622
C 3.319849 -0.589019 -0.279741
C 2.406258 0.661925 -0.096313
C 2.012854 -1.456329 -0.023212
C -0.008082 0.037515 0.495030
C -1.078534 -1.031834 0.218473
C -0.544336 1.450427 0.212870
C 5.349111 -1.849340 0.412568
C -1.976473 -1.415459 1.244020
C -0.969049 2.280562 1.277940
C -1.208410 -1.622158 -1.063190
C -0.641175 1.934495 -1.116008
C -2.994641 -2.362956 0.994717
C -1.494455 3.568488 1.023963
C -2.221855 -2.573397 -1.314119
C -1.159566 3.221887 -1.372442
C -3.121199 -2.945767 -0.287651
C -1.592060 4.043231 -0.303749
H 3.652922 -0.698657 -1.326835
H 2.474199 1.057511 0.945143
H 2.512686 1.496966 -0.806651
H 1.799215 -2.315623 -0.680754
H 1.950835 -1.779229 1.043732
H 0.232828 -0.009678 1.590738
H 4.252698 -0.482779 1.573410
H 6.220903 -1.774305 1.086478
H 5.732821 -1.868806 -0.624514
H 4.848169 -2.828877 0.602918
H -1.882214 -0.967205 2.241437
H -0.888033 1.919014 2.311060
H -0.501971 -1.331198 -1.848274
H -0.296509 1.296330 -1.936800
H -3.684314 -2.648453 1.797340
H -1.820514 4.200312 1.858127
H -2.311461 -3.024298 -2.309345
H -1.228509 3.586544 -2.403878
H -3.908546 -3.682649 -0.483230
H -1.996325 5.042074 -0.503717


