%chk=000014378.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000014378

0 1
 Br   2.111200       4.480800     -0.2954000    
 N   1.1400000E-02  0.8868000      2.7600000E-02
 C   -1.290300       1.389300      0.4652000    
 C   0.3495000     -0.3449000      0.7398000    
 C    1.046500       1.898600      0.2366000    
 C   -2.390900      0.3945000      0.2086000    
 C    1.686100     -0.8909000      0.3128000    
 C   0.6983000       3.160600     -0.5304000    
 C   -3.071200      0.4250000      -1.000800    
 C    1.751900      -1.786500     -0.7455000    
 C   -2.709400     -0.5394000       1.184800    
 C    2.833700     -0.4907000      0.9831000    
 C   -4.090700     -0.4967000      -1.238700    
 C    2.990100      -2.292200      -1.141400    
 C   -3.728800      -1.461100      0.9466000    
 C    4.071900     -0.9964000      0.5871000    
 C   -4.419500      -1.439700     -0.2652000    
 C    4.150000      -1.897100     -0.4751000    
 H   -1.591300       2.293500     -7.2800003E-02
 H   -1.279700       1.663200       1.529800    
 H  -0.3642000      -1.148100      0.5324000    
 H   0.3479000     -0.1986000       1.829300    
 H    2.008900       1.574900     -0.1697000    
 H    1.184100       2.124600       1.302400    
 H   0.6050000       2.990000      -1.606800    
 H  -0.1815000       3.687500     -0.1571000    
 H   -2.821900       1.152800      -1.767900    
 H   0.8558000      -2.099300      -1.274100    
 H   -2.192200     -0.5587000       2.140000    
 H    2.788200      0.1979000       1.822200    
 H   -4.628100     -0.4806000      -2.182400    
 H    3.051200      -2.993000      -1.968800    
 H   -3.987400      -2.193300       1.706000    
 H    4.974800     -0.6916000       1.108000    
 H   -5.213600      -2.157000     -0.4502000    
 H    5.114000      -2.291300     -0.7829000    


%chk=000014378-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000014378

0 1
Br 1.823911 4.567679 -1.066876
N -0.003590 1.024142 0.500923
C -1.387059 1.321107 0.944373
C 0.588690 -0.166781 1.160533
C 0.875987 2.214907 0.446055
C -2.407748 0.279326 0.493459
C 1.797195 -0.723459 0.416592
C 0.766014 2.826038 -0.958652
C -2.402960 -0.204934 -0.839505
C 1.729928 -0.973781 -0.978483
C -3.405967 -0.184356 1.384854
C 2.993328 -1.034184 1.108470
C -3.377555 -1.129705 -1.272337
C 2.833247 -1.525668 -1.664150
C -4.385722 -1.109254 0.954474
C 4.100602 -1.589637 0.425183
C -4.374679 -1.584598 -0.376447
C 4.023711 -1.836882 -0.963971
H -1.663395 2.304218 0.515012
H -1.448028 1.437147 2.055187
H -0.206732 -0.936490 1.194175
H 0.872318 0.047165 2.220553
H 1.921202 1.909695 0.623050
H 0.618005 2.972998 1.218338
H 1.202783 2.168137 -1.723263
H -0.264604 3.106818 -1.224899
H -1.622017 0.145979 -1.523737
H 0.806466 -0.727641 -1.514564
H -3.416442 0.177934 2.420821
H 3.059550 -0.840748 2.186681
H -3.362850 -1.495700 -2.305378
H 2.767462 -1.716260 -2.741555
H -5.150996 -1.460140 1.656077
H 5.020044 -1.823154 0.973879
H -5.131284 -2.302961 -0.711489
H 4.880982 -2.264060 -1.496287


