%chk=000084186.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000084186

0 1
 Br  -2.542900       2.135900      -2.474900    
 O    6.473100     -8.9000002E-02  -2.011200    
 O    5.769000       3.843000       1.535400    
 O    2.836200      -3.689800     -5.7999999E-03
 O   -7.562300     -0.3774000      0.6088000    
 O   -7.534400      0.6823000      -1.313500    
 N    4.735700      0.6288000      8.6900003E-02
 N   0.9197000      -2.330500     -0.1948000    
 N  -0.8044000     -8.8399999E-02 -0.3780000    
 N   -1.389200      0.8849000      0.1479000    
 N   -6.946500      0.2242000     -0.3041000    
 N   -2.280500     -0.8924000       3.123300    
 C    3.342400      0.4425000     -2.9899999E-02
 C    5.622100     -0.5128000      0.1946000    
 C    5.297700       1.964500      0.1147000    
 C    2.810900     -0.8468000     -5.5799998E-02
 C    2.496100       1.547800     -0.1195000    
 C    5.895100      -1.090700      -1.183600    
 C    5.182700       2.547600       1.512900    
 C    1.433000      -1.030900     -0.1712000    
 C   0.5867000      7.4199997E-02 -0.2610000    
 C    1.118200       1.363700     -0.2352000    
 C    1.623800      -3.537900     -0.1154000    
 C   -2.779600      0.7222000      3.0400001E-02
 C   0.6990000      -4.727500     -0.1761000    
 C   -3.485200      5.6400001E-02   1.032800    
 C   -3.454600       1.222600      -1.082800    
 C   -5.541000      0.3920000     -0.1912000    
 C   -4.865900     -0.1084000      0.9221000    
 C   -4.835300       1.057400      -1.193700    
 C   -2.819700     -0.4676000       2.187600    
 H    6.579800     -0.1781000      0.6160000    
 H    5.264700      -1.270000      0.9011000    
 H    6.363200       1.934700     -0.1519000    
 H    4.871500       2.628700     -0.6470000    
 H    3.475000      -1.686800      1.7999999E-02
 H    2.846000       2.574000     -0.1127000    
 H    4.992200      -1.457400      -1.678900    
 H    6.604300      -1.921000      -1.104700    
 H    5.713900       1.920000       2.236900    
 H    4.145400       2.639500       1.846500    
 H   0.5004000       2.253700     -0.3260000    
 H  -9.2699997E-02  -2.392600     -0.2806000    
 H    6.650800     -0.4996000      -2.874500    
 H    5.689200       4.176600       2.445300    
 H   0.1335000      -4.710300      -1.112100    
 H   6.5000001E-03  -4.700900      0.6700000    
 H    1.280800      -5.652200     -0.1304000    
 H   -5.398700     -0.6305000       1.714800    
 H   -5.345900       1.454000      -2.068700    


%chk=000084186-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000084186

0 1
Br -3.144721 3.603281 -0.617905
O 6.910362 -0.362510 -1.721044
O 6.212074 4.080957 0.737633
O 2.740855 -3.608078 0.443829
O -7.686275 -1.058868 -0.149922
O -7.965537 1.190570 -0.451470
N 4.801888 0.687376 0.095875
N 0.849391 -2.223168 0.252373
N -0.775045 -0.064840 -0.061915
N -1.568872 0.995904 -0.219131
N -7.224896 0.141914 -0.292033
N -2.219159 -2.874839 0.249296
C 3.428019 0.522682 0.043026
C 5.705241 -0.456093 0.355120
C 5.452091 1.996331 -0.140621
C 2.849099 -0.778989 0.172918
C 2.550858 1.661956 -0.140809
C 6.069621 -1.253850 -0.906463
C 5.560613 2.832756 1.149280
C 1.456036 -0.961944 0.135415
C 0.581926 0.186939 -0.039594
C 1.177319 1.485857 -0.177571
C 1.479947 -3.470627 0.400125
C -2.934769 0.695912 -0.229088
C 0.523105 -4.648617 0.496590
C -3.528743 -0.619491 -0.078439
C -3.844174 1.795038 -0.402159
C -5.762899 0.326281 -0.270783
C -4.930476 -0.794176 -0.099607
C -5.232213 1.628973 -0.424449
C -2.736149 -1.805257 0.097665
H 6.642250 -0.060542 0.785113
H 5.257640 -1.133117 1.102808
H 6.458223 1.808894 -0.546785
H 4.904839 2.571592 -0.905584
H 3.457737 -1.673607 0.291033
H 2.962108 2.668876 -0.242826
H 5.155049 -1.560269 -1.451166
H 6.628789 -2.163800 -0.603243
H 6.164323 2.288255 1.906851
H 4.552272 3.022908 1.573494
H 0.500876 2.335597 -0.308859
H -0.182390 -2.225074 0.219105
H 7.097285 -0.778348 -2.598438
H 6.340498 4.669712 1.522219
H -0.080820 -4.745254 -0.422676
H -0.193480 -4.518686 1.325525
H 1.111129 -5.564302 0.649973
H -5.377560 -1.785182 0.014580
H -5.913484 2.472665 -0.556465


