%chk=000059284.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059284

0 1
 Br   1.151000       3.277400     -0.3847000    
 N    1.147400      0.1962000     -0.9169000    
 N    3.285400     -0.6677000     -0.8753000    
 N    2.240500     -0.3530000       1.114500    
 C  -0.9430000      -1.690800     -0.5483000    
 C   -2.242700      -2.481300     -0.6870000    
 C   -1.164400     -0.2267000     -0.2610000    
 C   -3.193200      -2.147500      0.4556000    
 C   -3.576500     -0.6694000      0.4176000    
 C   -2.393800      0.2483000      0.2321000    
 C  -9.9699996E-02  0.6704000     -0.4362000    
 C   -2.544100       1.616400      0.5049000    
 C  -0.2590000       2.026200     -0.1516000    
 C   -1.481400       2.499400      0.3162000    
 C    2.179600     -0.2581000     -0.1924000    
 C    4.294200      -1.125700      3.0600000E-02
 C    3.599600     -0.9140000       1.381800    
 H  -0.3751000      -1.822200      -1.476900    
 H  -0.3509000      -2.116400      0.2717000    
 H   -2.723500      -2.245400      -1.644900    
 H   -2.021800      -3.554500     -0.6940000    
 H   -2.712600      -2.384200       1.413500    
 H   -4.096800      -2.763600      0.3886000    
 H   -4.101600     -0.4183000       1.347000    
 H   -4.272600     -0.4975000     -0.4130000    
 H   -3.494400       2.000900      0.8673000    
 H    1.233700      0.2343000      -1.928200    
 H   -1.628200       3.553000      0.5398000    
 H    5.206900     -0.5282000     -5.0200000E-02
 H    4.534200      -2.179600     -0.1368000    
 H    3.502700      -1.859800       1.925300    
 H    4.164800     -0.2155000       2.007900    
 H    3.395000     -0.6614000      -1.881800    


%chk=000059284-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059284

0 1
Br 0.834093 3.700276 -0.835291
N 1.226998 0.589309 -0.907573
N 3.387500 -0.432733 -0.842304
N 1.956497 -0.798954 0.953488
C -0.719262 -1.559852 -0.389849
C -1.951476 -2.484339 -0.465521
C -1.074493 -0.091595 -0.205345
C -2.928296 -2.161463 0.684429
C -3.466037 -0.725862 0.515792
C -2.378141 0.302240 0.206987
C -0.090851 0.915345 -0.476125
C -2.707633 1.676242 0.297849
C -0.475758 2.280817 -0.400446
C -1.769757 2.676095 -0.024146
C 2.131505 -0.232216 -0.222156
C 4.161525 -1.389979 -0.012243
C 3.217862 -1.555034 1.244915
H -0.095599 -1.666941 -1.299931
H -0.064013 -1.860333 0.452158
H -2.474730 -2.354489 -1.434835
H -1.620224 -3.538774 -0.413476
H -2.393843 -2.255380 1.650625
H -3.771003 -2.878087 0.703813
H -4.015911 -0.409562 1.423498
H -4.207168 -0.714956 -0.310837
H -3.715626 1.969940 0.614069
H 1.679168 1.318794 -1.468935
H -2.031513 3.735879 0.033008
H 5.149365 -0.979504 0.261112
H 4.315458 -2.350398 -0.543137
H 2.988415 -2.615843 1.454771
H 3.687075 -1.129255 2.150715
H 3.475572 -0.437689 -1.859881


