%chk=000039495.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039495

0 1
 O    3.943400      -2.964700       1.002800    
 N  -0.8663000     -0.6862000      -1.128900    
 N    2.603100      -1.671800     -0.3059000    
 N    4.361500      -1.593800       1.084600    
 C   -2.064700     -0.4699000     -0.3130000    
 C   0.2562000      -1.082200     -0.2950000    
 C    1.497500      -1.307800      -1.148500    
 C   -3.251600     -0.1164000      -1.227800    
 C   -1.761500      0.6296000      0.7050000    
 C   -4.549300      8.6999997E-02 -0.4831000    
 C    2.823500      -3.029000      0.1007000    
 C    3.558900     -0.9086000      0.3034000    
 C    3.726400      0.5481000      0.1510000    
 C   -5.387400     -0.9962000     -0.2710000    
 C   -4.878200       1.352800     -2.5100000E-02
 C    4.554500       1.055100     -0.8514000    
 C    3.056700       1.422200       1.008500    
 C   -6.586100     -0.8084000      0.4170000    
 C   -6.076900       1.540500      0.6631000    
 C   -6.930900      0.4598000      0.8841000    
 C    4.712900       2.433400     -0.9960000    
 C    3.215100       2.800600      0.8638000    
 C    4.043100       3.306000     -0.1385000    
 H   -2.312800      -1.392000      0.2295000    
 H   1.6500000E-02  -1.994800      0.2646000    
 H   0.5270000     -0.3086000      0.4279000    
 H    1.739100     -0.4039000      -1.720700    
 H    1.314300      -2.101500      -1.883600    
 H   -3.394500     -0.9089000      -1.975600    
 H   -3.025600      0.7893000      -1.808000    
 H   -1.051300      -1.409000      -1.824100    
 H   -2.648600      0.8988000       1.284300    
 H   -1.391400       1.541700      0.2231000    
 H   -1.042500      0.3191000       1.469200    
 H    1.968300      -3.448200      0.6385000    
 H    3.090000      -3.670800     -0.7443000    
 H   -5.126300      -1.987900     -0.6289000    
 H   -4.225400       2.203700     -0.1980000    
 H    5.080400      0.3840000      -1.525600    
 H    2.409100       1.039100       1.792900    
 H   -7.250700      -1.649800      0.5897000    
 H   -6.346300       2.528300       1.025400    
 H   -7.864300      0.6061000       1.419700    
 H    5.357400       2.827100      -1.776500    
 H    2.693400       3.480100       1.531400    
 H    4.166200       4.379300     -0.2512000    


%chk=000039495-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039495

0 1
O 3.176078 -2.982483 1.292079
N -0.881900 -0.583109 -1.002982
N 2.753771 -1.659979 -0.611571
N 3.734765 -1.618000 1.496467
C -2.108924 -0.310188 -0.204087
C 0.315112 -1.020536 -0.258105
C 1.510227 -1.138826 -1.236499
C -3.274815 -0.065696 -1.208925
C -1.901597 0.900985 0.727438
C -4.639317 0.038649 -0.545791
C 2.806869 -3.067425 -0.166537
C 3.423205 -0.919117 0.403500
C 3.797115 0.500762 0.260385
C -5.280502 -1.119857 -0.032238
C -5.296778 1.287798 -0.407517
C 4.046331 1.057398 -1.023240
C 3.937048 1.318654 1.414560
C -6.538449 -1.033287 0.603916
C -6.556809 1.380599 0.227681
C -7.181961 0.219692 0.737391
C 4.419983 2.412258 -1.148946
C 4.317396 2.669388 1.283126
C 4.554230 3.223483 0.001818
H -2.386175 -1.192111 0.428266
H 0.169426 -1.986531 0.288504
H 0.564062 -0.259248 0.502559
H 1.710100 -0.143295 -1.664101
H 1.252794 -1.805899 -2.081627
H -3.282042 -0.907524 -1.933696
H -3.042817 0.851439 -1.781689
H -1.093798 -1.238033 -1.771289
H -2.848780 1.161383 1.230596
H -1.555752 1.771114 0.140087
H -1.154179 0.693835 1.513628
H 1.833633 -3.580253 -0.257928
H 3.608200 -3.632048 -0.683558
H -4.793174 -2.097627 -0.139353
H -4.818320 2.192469 -0.802583
H 3.981249 0.417338 -1.909932
H 3.749568 0.880014 2.399787
H -7.018656 -1.939287 0.991141
H -7.049606 2.355037 0.322107
H -8.159153 0.288822 1.228340
H 4.614869 2.832345 -2.141770
H 4.425300 3.292786 2.177462
H 4.844072 4.275408 -0.097372


