%chk=000178548.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178548

0 1
 Br  -4.654900       1.329700      -3.177600    
 Br  -6.241800      -1.327500      -2.493500    
 O   -1.364100      2.3900000E-02  0.8653000    
 O   -3.170700      0.8371000       2.053400    
 O    4.548700      0.9046000      -1.050100    
 N   -2.049900       3.239700      1.2500000E-02
 C   -4.694200      -1.527200       1.079900    
 C   -3.897200      -1.563300     -0.1910000    
 C   -3.213500      -1.381600       1.119200    
 C   -5.565000     -0.3377000       1.308200    
 C   -5.257600      -2.792800       1.635800    
 C   -3.922800     -0.4364000      -1.111300    
 C   -2.609000     -4.2399999E-02   1.414700    
 C   -4.804100     -0.1959000      -2.097400    
 C  -0.6669000       1.259600       1.072500    
 C   0.7117000       1.166200      0.5117000    
 C   -1.446500       2.366500      0.4819000    
 C    1.764900       1.837900       1.132400    
 C   0.9479000      0.4060000     -0.6338000    
 C    3.054300       1.749800      0.6075000    
 C    2.237300      0.3178000      -1.158500    
 C    3.290500      0.9897000     -0.5380000    
 C    5.361200     -0.1199000     -0.5943000    
 C    5.348900      -1.334600      -1.255400    
 C    6.163100      9.8099999E-02  0.5113000    
 C    6.166500      -2.366800     -0.7951000    
 C    6.980800     -0.9340000      0.9716000    
 C    6.982600      -2.166400      0.3182000    
 H   -3.754400      -2.526300     -0.6725000    
 H   -2.629200      -2.220600       1.485500    
 H   -6.575000     -0.5378000      0.9308000    
 H   -5.241400      0.5919000      0.8318000    
 H   -5.660400     -0.1404000       2.382300    
 H   -4.613600      -3.656700       1.436500    
 H   -6.236600      -3.005800       1.193100    
 H   -5.383000      -2.715000       2.721000    
 H   -3.109300      0.2797000      -1.028500    
 H  -0.5891000       1.405000       2.158700    
 H    1.594800       2.436000       2.023800    
 H   0.1423000     -0.1165000      -1.142900    
 H    3.866400       2.282200       1.094700    
 H    2.409500     -0.2699000      -2.055900    
 H    4.720300      -1.494600      -2.126200    
 H    6.170400       1.057100       1.020300    
 H    6.168800      -3.326000      -1.304400    
 H    7.617300     -0.7775000       1.837600    
 H    7.619800      -2.969800      0.6762000    


%chk=000178548-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178548

0 1
Br -6.798479 1.575906 2.994810
Br -8.006829 -0.330137 0.616202
O -1.808907 0.966038 -1.572060
O -2.283356 1.023263 0.718093
O 4.475770 -0.020476 -0.532793
N -1.026167 3.667706 -3.476230
C -3.617346 -1.826676 0.124408
C -4.756190 -0.794071 0.001794
C -3.413348 -0.572436 -0.783412
C -2.844183 -1.972927 1.432229
C -3.813095 -3.141984 -0.630790
C -5.142076 0.097387 1.120691
C -2.485748 0.521658 -0.419211
C -6.412374 0.385621 1.495363
C -0.807550 2.089965 -1.340756
C 0.587366 1.534695 -1.125577
C -0.932801 2.952704 -2.527132
C 1.049778 1.330758 0.198197
C 1.431294 1.196798 -2.214404
C 2.329146 0.792485 0.442391
C 2.708689 0.656145 -1.985523
C 3.153986 0.453142 -0.657622
C 4.935513 -0.632573 0.667336
C 4.208910 -1.658775 1.313720
C 6.214380 -0.243088 1.116983
C 4.777436 -2.289491 2.442730
C 6.772324 -0.886602 2.244080
C 6.055890 -1.906585 2.913073
H -5.584388 -1.095764 -0.648898
H -3.463799 -0.748456 -1.861059
H -3.438515 -2.567302 2.150544
H -2.600829 -1.005876 1.899250
H -1.894231 -2.508711 1.250654
H -4.393304 -3.003092 -1.560982
H -4.356733 -3.867945 0.002143
H -2.836944 -3.586607 -0.899864
H -4.330763 0.571728 1.687239
H -1.146148 2.635938 -0.439079
H 0.401304 1.589132 1.042688
H 1.090261 1.362133 -3.242510
H 2.684249 0.655989 1.467626
H 3.376841 0.395885 -2.811211
H 3.229281 -1.966434 0.934186
H 6.750466 0.545757 0.581127
H 4.223024 -3.087988 2.947902
H 7.765156 -0.589351 2.598503
H 6.490838 -2.402385 3.787150


