%chk=000016282.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016282

0 1
 Br   3.474300       3.845400     -0.4608000    
 Br   4.694600      -2.984900     -0.6337000    
 O   -4.312400       1.412600     -0.1281000    
 N    2.070900      4.1900001E-02  0.5812000    
 N   -3.420500     -0.7698000     -0.1229000    
 C   0.6867000     -0.1628000      0.4036000    
 C    2.603400       1.383500      0.7123000    
 C    2.977000      -1.087300      0.6486000    
 C  -0.1791000      0.9297000      0.3534000    
 C   0.1834000      -1.457600      0.2790000    
 C    2.743000       2.047400     -0.6439000    
 C    3.489000      -1.456000     -0.7304000    
 C   -2.051300     -0.5675000      5.3800002E-02
 C   -1.548100      0.7274000      0.1786000    
 C   -1.185600      -1.660100      0.1040000    
 C   -4.434600      0.1941000     -0.1994000    
 C   -5.790800     -0.4358000     -0.3955000    
 H    2.020500       1.990300       1.416400    
 H    3.598600       1.340800       1.175700    
 H    3.842800     -0.8130000       1.267700    
 H    2.561200      -1.945500       1.188600    
 H   0.1479000       1.959100      0.4499000    
 H   0.8017000      -2.347900      0.2880000    
 H    3.439500       1.513400      -1.294700    
 H    1.796500       2.162000      -1.176800    
 H    2.685000      -1.742400      -1.413800    
 H    4.070700     -0.6514000      -1.186000    
 H   -2.156000       1.621000      0.1513000    
 H   -1.564300      -2.674200      3.1999999E-03
 H   -3.708500      -1.742700     -0.2057000    
 H   -5.808800     -0.9872000      -1.339700    
 H   -6.560000      0.3410000     -0.4223000    
 H   -6.006100      -1.118900      0.4311000    


%chk=000016282-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000016282

0 1
Br 3.591981 4.019768 -0.395020
Br 4.531386 -3.270679 -0.565207
O -4.390162 1.363466 -0.236253
N 2.131313 0.099687 0.592759
N -3.477078 -0.795889 -0.109993
C 0.739968 -0.105279 0.397240
C 2.683276 1.457665 0.727121
C 3.054387 -1.043678 0.673461
C -0.168946 0.989300 0.289340
C 0.188011 -1.419213 0.312109
C 2.932752 2.112770 -0.647546
C 3.410446 -1.580607 -0.728405
C -2.087994 -0.516586 0.057252
C -1.553476 0.796092 0.128134
C -1.194637 -1.613874 0.150670
C -4.534483 0.103807 -0.245749
C -5.907434 -0.546155 -0.413143
H 2.004494 2.091361 1.325951
H 3.636928 1.404875 1.281306
H 3.978231 -0.724725 1.186428
H 2.617725 -1.853924 1.286020
H 0.191318 2.021419 0.332926
H 0.825578 -2.305359 0.378176
H 3.726567 1.609067 -1.219668
H 2.016440 2.198372 -1.250249
H 2.521561 -1.876306 -1.304785
H 4.030394 -0.879417 -1.306840
H -2.228283 1.650448 0.050724
H -1.579208 -2.640786 0.094367
H -3.722488 -1.787900 -0.133167
H -6.337318 -0.231070 -1.379755
H -6.578501 -0.172389 0.379070
H -5.892147 -1.649661 -0.374571


