%chk=000089937.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089937

0 1
 Br   5.330200       4.177800     -7.6899998E-02
 Br   6.245000      -3.637200      0.6861000    
 O   -1.027700     -0.6228000     -0.6450000    
 O   -6.461000      0.4186000       1.465600    
 O   -1.394800       1.202400      0.7592000    
 N    4.431700      9.4899997E-02  0.1339000    
 C    5.073600       1.332600     -0.2622000    
 C    5.233500     -0.9594000      0.7225000    
 C    3.047000     -8.6499996E-02 -6.3400000E-02
 C    2.322400     -0.9124000      0.7959000    
 C    2.402200      0.5595000      -1.118200    
 C    4.472700       2.515500      0.4723000    
 C    5.177000      -2.219200     -0.1196000    
 C   0.3442000     -0.4418000     -0.4494000    
 C   0.9531000      -1.092400      0.6004000    
 C    1.032900      0.3796000      -1.313700    
 C   -3.235700      4.7100000E-02 -0.2207000    
 C   -1.825200      0.2981000      3.0300001E-02
 C   -4.183300      0.3559000      0.7550000    
 C   -3.640600     -0.5015000      -1.437500    
 C   -5.536100      0.1161000      0.5140000    
 C   -4.993400     -0.7413000      -1.678600    
 C   -5.941100     -0.4325000     -0.7028000    
 C   -7.826700      0.1489000       1.152800    
 H    5.023200       1.466600      -1.349700    
 H    6.148500       1.296500     -4.1999999E-02
 H    4.922800      -1.153300       1.756400    
 H    6.281500     -0.6441000      0.8083000    
 H    2.780200      -1.419400       1.639500    
 H    2.930100       1.195800      -1.821600    
 H    4.620800       2.435300       1.553600    
 H    3.408500       2.665300      0.2776000    
 H    5.589100      -2.053800      -1.119900    
 H    4.174200      -2.639700     -0.2217000    
 H   0.3878000      -1.732500       1.270600    
 H   0.5311000      0.8782000      -2.137000    
 H   -3.878300      0.7814000       1.708100    
 H   -2.926800     -0.7398000      -2.221800    
 H   -5.308300      -1.165600      -2.627700    
 H   -6.974400     -0.6436000     -0.9562000    
 H   -8.422600      0.4499000       2.020600    
 H   -8.171400      0.7497000      0.3044000    
 H   -8.000900     -0.9218000       1.001400    


%chk=000089937-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000089937

0 1
Br 6.236776 3.910153 0.915455
Br 6.650793 -3.495752 -0.967179
O -1.159391 -0.432626 0.055741
O -6.964767 1.214623 -0.232078
O -1.931528 1.766646 -0.268557
N 4.509117 0.093023 -0.000802
C 5.192240 1.386518 -0.173310
C 5.353854 -1.103410 0.153536
C 3.095557 0.001814 0.008248
C 2.435135 -1.260558 0.120429
C 2.274308 1.164112 -0.094095
C 5.317640 2.117055 1.178686
C 5.547133 -1.804927 -1.205739
C 0.244354 -0.177269 0.023493
C 1.032737 -1.342782 0.131742
C 0.867085 1.087046 -0.092209
C -3.516703 -0.069865 -0.007119
C -2.160284 0.546507 -0.091555
C -4.626594 0.793143 -0.149761
C -3.712652 -1.461953 0.208759
C -5.938944 0.271993 -0.078049
C -5.024338 -1.967371 0.278654
C -6.145322 -1.114783 0.137276
C -8.347025 0.733248 -0.163979
H 4.658773 2.021472 -0.902458
H 6.200764 1.211734 -0.587576
H 4.917980 -1.804836 0.886706
H 6.338802 -0.804760 0.553532
H 3.004513 -2.191027 0.195470
H 2.720915 2.159422 -0.174447
H 5.947581 1.567580 1.894521
H 4.340833 2.350812 1.626645
H 6.111108 -1.187084 -1.920807
H 4.596891 -2.135703 -1.649565
H 0.535455 -2.313578 0.218545
H 0.267454 1.993394 -0.177452
H -4.472101 1.863376 -0.315105
H -2.847190 -2.118633 0.318192
H -5.186527 -3.037845 0.445276
H -7.154278 -1.533687 0.195717
H -8.968116 1.629088 -0.308275
H -8.558911 -0.000376 -0.966165
H -8.568129 0.281164 0.822560


