%chk=000050169.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050169

0 1
 Br   2.752700       2.799000      -1.289000    
 O    1.229800      -1.196700       1.811600    
 O    5.150600      -1.813700     -0.8228000    
 N  -0.3448000       1.229300     -8.8000000E-03
 C   -1.455000       2.066000      0.4559000    
 C   -2.657800       1.897100     -0.4902000    
 C   0.8251000       1.418100      0.8326000    
 C   -1.783300       1.672900       1.896500    
 C   -3.192800      0.4861000     -0.5421000    
 C    1.985200      0.5728000      0.3781000    
 C    2.121000     -0.7073000      0.9040000    
 C   -2.680900     -0.4002000      -1.476300    
 C   -4.185600      0.1031000      0.3457000    
 C    2.901800       1.059400     -0.5472000    
 C    3.187100      -1.510800      0.4995000    
 C    3.967900      0.2558000     -0.9515000    
 C   -3.174800      -1.703800      -1.524300    
 C   -4.679500      -1.200500      0.2977000    
 C    4.110500      -1.029200     -0.4282000    
 C   -4.174100      -2.103900     -0.6373000    
 C   9.7300000E-02  -1.893500       1.296300    
 H   -1.164100       3.124100      0.4298000    
 H   -2.384900       2.220600      -1.504200    
 H   -3.462900       2.577500     -0.1814000    
 H  -0.1180000       1.481000     -0.9711000    
 H   0.6317000       1.142900       1.874800    
 H    1.108000       2.475400      0.8913000    
 H   -1.065100       2.091100       2.610000    
 H   -1.825600      0.5888000       2.046200    
 H   -2.755600       2.086000       2.189500    
 H   -1.906300     -9.9500000E-02  -2.175800    
 H   -4.592700      0.7986000       1.073600    
 H    3.299600      -2.512500      0.9070000    
 H    4.691100      0.6258000      -1.674700    
 H   -2.781800      -2.407100      -2.252700    
 H   -5.458700      -1.511800      0.9873000    
 H   -4.558900      -3.118800     -0.6748000    
 H  -0.1791000      -1.558700      0.2918000    
 H  -0.7473000      -1.729300       1.970700    
 H   0.3201000      -2.964300       1.268800    
 H    5.689500      -1.323100      -1.467000    


%chk=000050169-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050169

0 1
Br 2.606816 2.921228 -1.283857
O 1.713601 -1.422271 1.825565
O 5.573444 -1.535366 -1.029808
N -0.284598 1.089343 0.120302
C -1.450505 1.933538 0.513407
C -2.569959 1.800967 -0.566364
C 0.926102 1.258601 0.979231
C -1.957473 1.567216 1.923250
C -3.337266 0.484880 -0.569273
C 2.124665 0.540271 0.390096
C 2.475382 -0.778523 0.828731
C -2.740396 -0.723307 -1.019174
C -4.681449 0.439937 -0.116676
C 2.986951 1.112894 -0.572070
C 3.618195 -1.450019 0.354476
C 4.135524 0.473623 -1.080277
C -3.466000 -1.935556 -1.014887
C -5.411610 -0.771153 -0.108923
C 4.448540 -0.818733 -0.595135
C -4.805204 -1.965805 -0.559174
C 0.415063 -1.982918 1.366691
H -1.154817 3.015260 0.528407
H -2.104876 1.973316 -1.559820
H -3.280368 2.634277 -0.406588
H -0.032467 1.288375 -0.861649
H 0.718391 0.826639 1.972399
H 1.177914 2.335887 1.123627
H -1.213321 1.812544 2.701318
H -2.189807 0.489880 1.983690
H -2.878683 2.132610 2.153921
H -1.700399 -0.709030 -1.361997
H -5.161968 1.363847 0.229751
H 3.862755 -2.446710 0.728291
H 4.766220 0.970153 -1.824794
H -2.989106 -2.856363 -1.370912
H -6.449645 -0.780712 0.243069
H -5.368555 -2.905857 -0.559543
H -0.193674 -1.205876 0.867650
H -0.082197 -2.345037 2.279327
H 0.597595 -2.829642 0.676436
H 6.096586 -1.015710 -1.689416


