%chk=000063120.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063120

0 1
 O  -0.1126000      -2.066800      0.2236000    
 N   0.3930000      0.2339000      0.2034000    
 N   -1.391300       1.800300      5.0900001E-02
 N    2.418600     -0.1326000       1.402300    
 C   -1.906100     -0.5881000      0.1138000    
 C  -0.1268000       1.529700      0.1583000    
 C    1.807100     -2.2500001E-02  0.2039000    
 C  -0.4619000     -0.8888000      0.2057000    
 C   -2.307300      0.7442000      1.5400000E-02
 C    2.450500     -0.1416000      -1.015000    
 C   -2.850400      -1.621600      9.9900000E-02
 C   0.7936000       2.725300      0.2969000    
 C   -3.672000       1.034300     -9.7300000E-02
 C    3.818200     -0.3918000      -1.003300    
 C    1.736900     -1.5000000E-02  -2.317900    
 C   -4.206600      -1.318900     -1.2200000E-02
 C   -4.617800      8.1000002E-03 -0.1120000    
 C    4.486900     -0.5125000      0.2098000    
 C    3.748100     -0.3757000       1.374000    
 H   -2.550600      -2.663300      0.1723000    
 H    1.476500       2.766500     -0.5558000    
 H    1.379700       2.637200       1.215800    
 H   0.2196000       3.655800      0.3320000    
 H   -4.007700       2.066000     -0.1709000    
 H    4.377100     -0.4956000      -1.929200    
 H    2.419600     -0.1388000      -3.166000    
 H   0.9642000     -0.7846000      -2.412900    
 H    1.278400      0.9737000      -2.417400    
 H   -4.942300      -2.117800     -2.3499999E-02
 H   -5.674100      0.2449000     -0.1992000    
 H    5.552700     -0.7074000      0.2432000    
 H    4.222500     -0.4611000       2.346000    


%chk=000063120-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000063120

0 1
O 0.009251 -1.976327 -0.343694
N 0.360737 0.317994 0.044570
N -1.454976 1.874421 0.340262
N 2.376759 0.219396 1.303918
C -1.927933 -0.531101 -0.064952
C -0.157812 1.616501 0.283620
C 1.798070 0.076132 0.084089
C -0.488080 -0.829835 -0.139138
C -2.362555 0.811093 0.176552
C 2.492612 -0.293177 -1.101643
C -2.878110 -1.573529 -0.225578
C 0.822957 2.748361 0.461645
C -3.756188 1.085576 0.251637
C 3.884318 -0.525262 -0.958178
C 1.798590 -0.450892 -2.434493
C -4.250970 -1.288077 -0.148511
C -4.687487 0.046412 0.090719
C 4.507537 -0.386884 0.300472
C 3.715724 -0.006146 1.406167
H -2.508330 -2.588391 -0.404731
H 1.559108 2.787566 -0.361967
H 1.389567 2.627880 1.401363
H 0.253912 3.688141 0.493287
H -4.067776 2.117746 0.437319
H 4.470646 -0.815524 -1.837255
H 2.526656 -0.455965 -3.263272
H 1.239417 -1.404504 -2.451684
H 1.067596 0.357420 -2.615594
H -4.987073 -2.089583 -0.270749
H -5.759724 0.263810 0.150506
H 5.579776 -0.566450 0.425699
H 4.149484 0.118597 2.404214


