%chk=000042404.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042404

0 1
 N  -0.1737000     -1.8800000E-02  0.1493000    
 N    4.342400      -1.554700      0.1374000    
 C   -1.507400     -0.4100000     -3.3100002E-02
 C   0.5707000      -1.164000      0.3828000    
 C   -1.551200      -1.811500      5.4200001E-02
 C   -2.678000      0.3321000     -0.3074000    
 C  -0.2431000      -2.264900      0.3284000    
 C   0.3830000       1.302400      8.7200001E-02
 C   -2.710700       1.829000     -0.4215000    
 C   -1.845600       2.477700      0.6463000    
 C  -0.3836000       2.467800      0.2794000    
 C    1.987700      -1.219000      0.8289000    
 C   -2.771700      -2.492600     -0.1275000    
 C   -3.874600     -0.3866000     -0.5085000    
 C   0.1662000      -3.669900      0.5439000    
 C    2.962300      -1.478900     -0.3295000    
 C    1.761900       1.433300     -0.1811000    
 C   -3.925300      -1.770500     -0.4145000    
 C   0.2558000       3.724000      0.1931000    
 C    2.370400       2.686800     -0.2646000    
 C    1.616900       3.834200     -7.8299999E-02
 C    5.247400      -1.846000     -0.9651000    
 H   -2.407700       2.126400      -1.432700    
 H   -3.740800       2.178000     -0.2758000    
 H   -1.977100       2.006900       1.629300    
 H   -2.187000       3.514300      0.7652000    
 H    2.273300     -0.3512000       1.434100    
 H    2.095600      -2.046000       1.546600    
 H   -2.824600      -3.575600     -5.8899999E-02
 H   -4.793900      0.1499000     -0.7372000    
 H  -0.6333000      -4.374600      0.2964000    
 H    1.025300      -3.932800     -8.0399998E-02
 H   0.4361000      -3.835100       1.592200    
 H    2.859700     -0.8597000      -1.224300    
 H    2.712300      -2.477600     -0.7181000    
 H    2.438100      0.6660000     -0.4376000    
 H   -4.866300      -2.291300     -0.5665000    
 H  -0.3117000       4.639900      0.3461000    
 H    3.429300       2.764200     -0.4949000    
 H    2.083100       4.812500     -0.1438000    
 H    4.426400      -2.279900      0.8491000    
 H    5.016600      -2.808600      -1.433100    
 H    6.274300      -1.893300     -0.5896000    
 H    5.213000      -1.059300      -1.725700    


%chk=000042404-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000042404

0 1
N -0.189874 0.046815 0.124547
N 4.418354 -1.623901 0.330709
C -1.533418 -0.355342 -0.127258
C 0.596368 -1.139271 0.319774
C -1.552982 -1.791947 -0.147874
C -2.721924 0.406517 -0.280761
C -0.217667 -2.260768 0.158336
C 0.338706 1.376090 -0.027384
C -2.781967 1.912006 -0.075009
C -1.778047 2.400064 1.013780
C -0.376595 2.516514 0.447123
C 2.031505 -1.126076 0.792554
C -2.761617 -2.487183 -0.402452
C -3.910171 -0.321540 -0.528257
C 0.172647 -3.705016 0.342861
C 3.053078 -1.698856 -0.223667
C 1.585660 1.559444 -0.681721
C -3.935327 -1.740479 -0.611460
C 0.209542 3.795552 0.286470
C 2.156012 2.840744 -0.817653
C 1.471555 3.971622 -0.321353
C 5.474213 -2.133097 -0.563628
H -2.573056 2.460289 -1.015218
H -3.812140 2.181694 0.223595
H -1.811647 1.696081 1.867579
H -2.097126 3.388933 1.389342
H 2.356610 -0.111742 1.077006
H 2.092298 -1.742199 1.715214
H -2.779544 -3.582397 -0.428134
H -4.848614 0.237211 -0.632258
H -0.598440 -4.251599 0.917891
H 0.285771 -4.229031 -0.626590
H 1.128176 -3.807098 0.886630
H 3.031362 -1.108444 -1.160831
H 2.751359 -2.737437 -0.508143
H 2.098171 0.696752 -1.112414
H -4.884831 -2.250302 -0.809305
H -0.343968 4.669346 0.651165
H 3.122162 2.950607 -1.321772
H 1.903798 4.973012 -0.419844
H 4.467787 -2.044465 1.268639
H 5.328490 -3.190848 -0.895727
H 6.455051 -2.061860 -0.061128
H 5.520778 -1.505396 -1.473174


