%chk=000045592.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045592

0 1
 N    4.035400      -1.874800      0.2121000    
 N   -1.581300     -0.2959000     -0.2136000    
 C    2.163300     -0.8912000     -0.4622000    
 C   0.7716000     -0.6846000     -0.9118000    
 C    3.146400      0.1169000     -0.2569000    
 C  -0.2102000     -0.4687000      0.2544000    
 C    4.311400     -0.5269000      0.1657000    
 C    2.739800      -2.104800     -0.1658000    
 C   -2.491400     -0.1042000      0.9064000    
 C    3.157000       1.519500     -0.3904000    
 C    5.491200      0.1648000      0.4627000    
 C   -3.915300      6.9100000E-02  0.4489000    
 C    4.329900       2.224500     -9.6900001E-02
 C    5.477900       1.555500      0.3229000    
 C   -4.394400       1.342100      0.1731000    
 C   -4.728900      -1.046600      0.3097000    
 C   -5.713700       1.502800     -0.2504000    
 C   -6.048200     -0.8861000     -0.1139000    
 C   -6.540600      0.3887000     -0.3939000    
 H   0.7245000      0.1742000      -1.593800    
 H   0.4468000      -1.553400      -1.500100    
 H   0.1045000      0.4113000      0.8302000    
 H  -0.1558000      -1.334000      0.9275000    
 H    2.345900      -3.111400     -0.1884000    
 H    4.694500      -2.590500      0.4857000    
 H   -1.624000      0.5113000     -0.8355000    
 H   -2.196300      0.7728000       1.497900    
 H   -2.441600     -0.9622000       1.589700    
 H    2.270600       2.057000     -0.7151000    
 H    6.385400     -0.3552000      0.7896000    
 H    4.343800       3.306600     -0.1978000    
 H    6.378000       2.122800      0.5456000    
 H   -3.758200       2.216400      0.2799000    
 H   -4.355200      -2.044000      0.5235000    
 H   -6.096900       2.495200     -0.4689000    
 H   -6.692000      -1.753500     -0.2261000    
 H   -7.567700      0.5137000     -0.7239000    


%chk=000045592-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000045592

0 1
N 4.180999 -1.994048 0.342831
N -1.548267 -0.221881 -0.092709
C 2.181408 -1.109076 -0.341962
C 0.731577 -0.978929 -0.738896
C 3.160315 -0.036291 -0.242494
C -0.145481 -0.326167 0.359598
C 4.404856 -0.621111 0.188631
C 2.844075 -2.281415 0.021108
C -2.479897 0.346223 0.905227
C 3.109491 1.362946 -0.485479
C 5.575480 0.145418 0.383389
C -3.925906 0.328250 0.419290
C 4.273076 2.132999 -0.295340
C 5.492845 1.530946 0.136681
C -4.812471 1.378983 0.764319
C -4.413735 -0.750209 -0.362318
C -6.163849 1.349561 0.349724
C -5.762182 -0.778996 -0.782640
C -6.643537 0.269180 -0.426235
H 0.648885 -0.370040 -1.664283
H 0.300502 -1.969179 -0.974639
H 0.296902 0.659758 0.648046
H -0.119430 -0.959976 1.267300
H 2.461547 -3.299673 0.069858
H 4.877539 -2.677003 0.630929
H -1.623334 0.267564 -0.996105
H -2.212626 1.387958 1.214760
H -2.390498 -0.274963 1.821314
H 2.179526 1.837598 -0.819284
H 6.515663 -0.311866 0.712248
H 4.247891 3.212756 -0.480277
H 6.381030 2.157140 0.277460
H -4.443576 2.224248 1.359377
H -3.718398 -1.551105 -0.635080
H -6.837651 2.169145 0.624952
H -6.126983 -1.618060 -1.386626
H -7.689588 0.246518 -0.752578


