%chk=000088962.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088962

0 1
 O  -0.5249000      0.3895000      -1.281000    
 N   0.6134000     -4.1600000E-02  0.7232000    
 N    2.874800     -0.1887000       1.304000    
 N    2.203400      0.2913000     -0.9600000    
 C   -1.808000     -3.6100000E-02  0.7233000    
 C   -2.952900      0.8382000      0.1785000    
 C   -2.198000      -1.528800      0.7844000    
 C   -2.632400       2.334500      0.2691000    
 C   -2.499800      -2.166500     -0.5758000    
 C  -0.5096000      0.1386000     -7.9300001E-02
 C   -3.803700       3.182200     -0.2026000    
 C   -2.943800      -3.613600     -0.4200000    
 C    1.972600      2.4000000E-02  0.3342000    
 C    4.159700     -0.1184000      0.8986000    
 C    3.508900      0.3468000      -1.296000    
 C    4.540200      0.1486000     -0.4006000    
 H   -1.615800      0.2904000       1.754800    
 H   -3.162100      0.5939000     -0.8694000    
 H   -3.867900      0.6298000      0.7469000    
 H   -1.385900      -2.091600       1.262800    
 H   -3.074600      -1.635700       1.436100    
 H   -2.395000       2.600300       1.305800    
 H   -1.754300       2.580500     -0.3373000    
 H   -1.611900      -2.137400      -1.216300    
 H   -3.294900      -1.619100      -1.091500    
 H   -4.050000       2.964000      -1.246600    
 H   -3.556600       4.245700     -0.1268000    
 H   -4.693600       2.996300      0.4072000    
 H   -3.151600      -4.053800      -1.400300    
 H   -2.165300      -4.212700      6.3100003E-02
 H   -3.854900      -3.682100      0.1829000    
 H   0.4748000     -0.2524000       1.708300    
 H    4.900100     -0.2883000       1.673000    
 H    3.710200      0.5624000      -2.339900    
 H    5.578900      0.1991000     -0.6980000    


%chk=000088962-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000088962

0 1
O -0.571978 0.480869 -1.387679
N 0.637634 0.031191 0.591485
N 2.844820 -0.127250 1.271245
N 2.334355 0.135963 -1.111510
C -1.820759 0.033948 0.698051
C -2.983629 0.893559 0.150334
C -2.172981 -1.489546 0.777546
C -2.789091 2.408475 0.387751
C -2.540471 -2.152506 -0.570234
C -0.548745 0.223370 -0.159402
C -3.972250 3.245768 -0.142956
C -2.814455 -3.663533 -0.410976
C 1.983702 0.019054 0.201781
C 4.171167 -0.145332 0.971911
C 3.675271 0.116152 -1.367196
C 4.650678 -0.020287 -0.354257
H -1.598700 0.369771 1.735084
H -3.084345 0.710581 -0.935707
H -3.926375 0.561089 0.631245
H -1.320090 -2.041164 1.226022
H -3.023047 -1.601132 1.481588
H -2.657248 2.598711 1.473511
H -1.855432 2.735686 -0.110294
H -1.723852 -1.994334 -1.299874
H -3.435028 -1.659954 -0.996996
H -4.099302 3.099445 -1.231826
H -3.816493 4.325328 0.036780
H -4.919705 2.953541 0.348852
H -3.089538 -4.124200 -1.377271
H -1.920872 -4.192344 -0.028081
H -3.643391 -3.847824 0.299066
H 0.532104 -0.108341 1.601162
H 4.854232 -0.263401 1.820223
H 3.954312 0.210923 -2.422550
H 5.719002 -0.032976 -0.582028


