%chk=000150239.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000150239

0 1
 O  -0.9617000      0.1440000      -1.444800    
 N   -5.244400      0.7004000      7.9200000E-02
 N   -2.184700      -1.401800     -0.2236000    
 N    1.422100      0.5576000     -0.3877000    
 N    4.960300      -1.360900      0.7824000    
 C   -3.938500      0.1696000      0.4485000    
 C   -3.491600     -0.8821000     -0.5563000    
 C   -5.664000       1.740400       1.020700    
 C   -6.241900     -0.3704000      2.8999999E-02
 C    1.421000     -0.7681000     -0.1488000    
 C    2.583400      -1.452200      0.2453000    
 C   0.2460000      -1.501400     -0.2905000    
 C    3.760500     -0.7103000      0.3857000    
 C    3.767200      0.6664000      0.1390000    
 C  -0.9928000     -0.8461000     -0.6966000    
 C    2.558600       1.267600     -0.2509000    
 C   -4.643000       2.863300       1.089400    
 C   -7.593300      0.1589000     -0.4200000    
 C    2.547700      -2.836700      0.4867000    
 C   0.2070000      -2.877300     -5.1399998E-02
 C    1.360100      -3.546700      0.3379000    
 C    4.935700       1.436700      0.2721000    
 C    2.558900       2.638000     -0.4980000    
 C    4.909300       2.804900      1.9200001E-02
 C    3.718200       3.406400     -0.3667000    
 H   -3.946400     -0.2571000       1.460700    
 H   -3.171200      0.9511000      0.4367000    
 H   -3.463300     -0.4706000      -1.571700    
 H   -4.129100      -1.769400     -0.5572000    
 H   -6.595900       2.208400      0.6875000    
 H   -5.835600       1.337300       2.026800    
 H   -5.984000      -1.119700     -0.7238000    
 H   -6.343000     -0.8854000      0.9925000    
 H   -2.160500      -2.169500      0.4395000    
 H   -3.753100       2.586600       1.663300    
 H   -4.337100       3.198400      9.2200004E-02
 H   -5.083800       3.726900       1.600500    
 H   -8.102600      0.7261000      0.3651000    
 H   -7.508000      0.7855000      -1.314500    
 H   -8.251200     -0.6807000     -0.6723000    
 H    3.416400      -3.410900      0.7904000    
 H  -0.6928000      -3.469500     -0.1916000    
 H    1.337100      -4.617400      0.5170000    
 H    5.892300       1.021100      0.5699000    
 H    1.637900       3.132500     -0.8017000    
 H    4.989400      -2.351100      0.9700000    
 H    5.826000     -0.8557000      0.8921000    
 H    5.812700       3.398200      0.1225000    
 H    3.686600       4.473500     -0.5665000    


%chk=000150239-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000150239

0 1
O -1.998064 -1.844769 -1.718753
N -4.980910 1.105409 -0.322488
N -1.567621 -0.522096 0.154967
N 0.973602 -0.190623 0.886441
N 5.092448 -1.029233 0.208774
C -3.553475 0.819645 -0.599996
C -2.985500 -0.228538 0.394770
C -5.844240 1.084528 -1.530701
C -5.182857 2.284901 0.555005
C 1.347223 -0.995002 -0.163686
C 2.744779 -1.312240 -0.436361
C 0.321791 -1.550685 -1.035384
C 3.757246 -0.757759 0.426902
C 3.358471 0.085596 1.522825
C -1.175003 -1.314337 -0.892591
C 1.940070 0.333688 1.703784
C -6.057908 -0.341608 -2.075352
C -6.498015 2.231686 1.357605
C 3.068466 -2.159419 -1.547338
C 0.701673 -2.369601 -2.103278
C 2.067757 -2.679350 -2.365434
C 4.286837 0.688475 2.438141
C 1.518189 1.171990 2.793681
C 3.846716 1.497434 3.484501
C 2.444673 1.740643 3.663105
H -2.929113 1.742739 -0.561024
H -3.443727 0.399865 -1.614748
H -3.580042 -1.152419 0.280959
H -3.100074 0.131661 1.433503
H -6.826930 1.509620 -1.254773
H -5.431320 1.738909 -2.340761
H -4.338296 2.313135 1.270008
H -5.135260 3.243773 -0.024128
H -0.784368 -0.151202 0.744457
H -5.100931 -0.826044 -2.341155
H -6.551368 -0.968184 -1.311701
H -6.691518 -0.319978 -2.982323
H -7.384258 2.230453 0.697559
H -6.530153 1.313780 1.970256
H -6.580019 3.110614 2.024751
H 4.110057 -2.415824 -1.776646
H -0.103902 -2.763267 -2.732750
H 2.326238 -3.325423 -3.210616
H 5.366638 0.525183 2.332695
H 0.443295 1.342579 2.909744
H 5.391990 -1.622044 -0.558630
H 5.811690 -0.643651 0.812435
H 4.569054 1.948894 4.172584
H 2.106871 2.376894 4.488364


