%chk=000060394.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060394

0 1
 Br   3.783100      -1.450900      -2.351000    
 Br   4.044600      0.1654000       3.069200    
 O   -3.177400      -1.015000      0.6461000    
 O  -0.8482000      -2.008900       2.125200    
 O   -3.924700      0.4849000     -0.9395000    
 O    2.154400       3.778000      -1.148300    
 N  -0.9497000      -2.673300     -0.1172000    
 N   0.9291000      -2.335800      -1.535100    
 N   -2.935900       2.515400      0.7009000    
 C   -2.318800      -3.167500      2.3200000E-02
 C  -0.2820000      -2.754300      -1.337600    
 C    1.047600      -1.635700      0.8088000    
 C  -0.3348000      -2.117600       1.015100    
 C   -3.336900      -2.083100     -0.2787000    
 C    1.620700      -1.765300     -0.4587000    
 C    1.765600      -1.061400       1.864000    
 C   -1.011700      -3.365900      -2.509700    
 C    2.928900      -1.310100     -0.6588000    
 C    3.067900     -0.6126000       1.650000    
 C    3.649500     -0.7363000      0.3900000    
 C   -3.285500       1.241400       1.278400    
 C   -3.510500      0.2315000      0.1836000    
 C   -1.666600       2.830500      0.2394000    
 C  -0.6201000       1.893300      0.3128000    
 C   -1.393300       4.095000     -0.3133000    
 C   0.9086000       3.469100     -0.6958000    
 C   0.6569000       2.210100     -0.1508000    
 C  -0.1164000       4.411500     -0.7771000    
 C    3.155600       2.767700      -1.035100    
 H   -2.456400      -3.507500       1.056800    
 H   -2.489500      -4.035600     -0.6183000    
 H   -4.347700      -2.487500     -0.1593000    
 H   -3.226000      -1.736700      -1.310700    
 H    1.314200     -0.9617000       2.848000    
 H  -0.4064000      -3.270500      -3.417000    
 H   -1.178100      -4.431300      -2.327800    
 H   -1.966200      -2.870500      -2.689900    
 H    4.665500     -0.3836000      0.2258000    
 H   -4.233000       1.340600       1.819900    
 H   -2.539500      0.8989000       2.002900    
 H   -3.664000       3.214300      0.6034000    
 H  -0.7671000      0.9008000      0.7253000    
 H   -2.181200       4.841600     -0.3842000    
 H    1.407800       1.436300     -6.1600000E-02
 H   7.3899999E-02   5.393800      -1.200700    
 H    2.908000       1.889800      -1.640500    
 H    4.083000       3.184100      -1.441500    
 H    3.352100       2.512000      1.1400000E-02


%chk=000060394-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060394

0 1
Br 3.678838 -1.371512 -2.642994
Br 4.294398 0.052740 2.924192
O -3.285106 -0.991000 0.635183
O -0.732172 -2.261457 2.208302
O -3.920612 0.438286 -1.104689
O 2.226649 3.919274 -1.013314
N -0.942497 -2.749486 -0.087487
N 0.877248 -2.393320 -1.625292
N -3.040591 2.644880 0.662689
C -2.338635 -3.192824 0.164027
C -0.346600 -2.833179 -1.363219
C 1.132887 -1.744271 0.747496
C -0.221359 -2.248679 1.051808
C -3.396802 -2.166948 -0.262637
C 1.627124 -1.824359 -0.594771
C 1.909083 -1.196708 1.799761
C -1.112963 -3.488832 -2.488213
C 2.939358 -1.313993 -0.843501
C 3.188985 -0.715124 1.504557
C 3.717825 -0.765694 0.188031
C -3.466279 1.356149 1.169115
C -3.584447 0.264751 0.084301
C -1.713260 2.893514 0.243248
C -0.652940 1.978579 0.473333
C -1.410360 4.126771 -0.405813
C 0.951776 3.511159 -0.568976
C 0.670355 2.285917 0.075806
C -0.101246 4.430112 -0.808364
C 3.330854 2.982202 -0.813430
H -2.415926 -3.363794 1.250924
H -2.526716 -4.144698 -0.361021
H -4.405084 -2.601590 -0.131800
H -3.288646 -1.825531 -1.306615
H 1.484120 -1.167039 2.806706
H -0.481595 -3.442212 -3.386146
H -1.333901 -4.550113 -2.267210
H -2.069977 -2.982798 -2.704381
H 4.721962 -0.388456 -0.020860
H -4.467659 1.458567 1.628968
H -2.793782 0.989505 1.963221
H -3.761257 3.227912 0.237590
H -0.836686 1.019498 0.968994
H -2.212947 4.851440 -0.591867
H 1.462153 1.558250 0.276459
H 0.130083 5.374753 -1.310060
H 3.155939 2.030598 -1.354441
H 4.216512 3.486358 -1.228311
H 3.493294 2.769803 0.262700


