%chk=000127915.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127915

0 1
 Br  -3.665200       3.428000      0.2781000    
 O   9.7199999E-02 -0.7068000      -1.766400    
 O   -2.314700      -2.449300     -0.2020000    
 O  -0.9232000       2.120100     -0.3581000    
 O   -4.890700      -1.641800      0.3822000    
 N    4.308300     -0.3219000      0.2079000    
 N   0.5761000     -0.7963000      0.4994000    
 C    2.881000      2.1500001E-02  0.2727000    
 C    2.799100      0.8789000       1.537300    
 C    4.195400       1.464800       1.717600    
 C    5.010500      0.9151000      0.5587000    
 C    1.968800      -1.195800      0.3551000    
 C    4.723800     -0.8201000      -1.097700    
 C    6.219700      -1.083500      -1.134300    
 C  -0.2419000     -0.5861000     -0.5921000    
 C   -1.628800     -0.1564000     -0.2776000    
 C   -2.602600      -1.119800     -9.7099997E-02
 C   -1.908200       1.192800     -0.1741000    
 C   -3.905600     -0.7188000      0.1982000    
 C   -3.211200       1.593900      0.1211000    
 C   -4.209800      0.6382000      0.3073000    
 C   -2.551300      -3.254500      0.9500000    
 C  -0.7268000       2.597700      -1.686100    
 H    2.596400      0.6463000     -0.5866000    
 H    2.049800       1.671200       1.431300    
 H    2.536800      0.2896000       2.424400    
 H    4.612900       1.137000       2.676900    
 H    4.179600       2.559300       1.715100    
 H    6.045100      0.7441000      0.8723000    
 H    5.006000       1.636300     -0.2691000    
 H    2.213000      -1.819900       1.222300    
 H    2.058300      -1.818500     -0.5411000    
 H    4.459100     -0.1224000      -1.902100    
 H    4.214000      -1.766400      -1.309600    
 H   0.2097000     -0.6615000       1.437400    
 H    6.806000     -0.1597000      -1.111100    
 H    6.535700      -1.720900     -0.3012000    
 H    6.479700      -1.603400      -2.062900    
 H   -5.227100      0.9465000      0.5376000    
 H   -3.527300      -3.741700      0.8734000    
 H   -1.785400      -4.035400      0.9773000    
 H   -2.483200      -2.678800       1.879900    
 H   -5.724500      -1.181700      0.5795000    
 H  -0.2894000       3.598300      -1.627800    
 H  -2.6400000E-02   1.946300      -2.215600    
 H   -1.666400       2.660300      -2.245100    


%chk=000127915-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127915

0 1
Br -4.050263 3.354979 -0.695860
O 0.336293 -0.461536 -1.696631
O -2.013962 -2.396106 0.322031
O -1.107508 2.193727 -0.886570
O -4.820887 -1.786624 0.642298
N 4.314765 -0.159512 0.121023
N 0.586394 -0.709793 0.601228
C 2.915302 0.249709 0.459563
C 3.027725 1.017842 1.810537
C 4.454530 0.689474 2.327742
C 5.257089 0.553359 1.018366
C 2.024543 -1.020900 0.525117
C 4.638112 -0.132992 -1.320946
C 5.931590 -0.899699 -1.652731
C -0.158694 -0.449884 -0.525341
C -1.620131 -0.112874 -0.277039
C -2.535751 -1.107899 0.154481
C -2.055978 1.211447 -0.560645
C -3.915039 -0.768342 0.282341
C -3.423050 1.529202 -0.386604
C -4.346078 0.551227 0.031244
C -2.497062 -3.242600 1.434312
C -0.888768 2.404287 -2.343725
H 2.486604 0.911771 -0.324911
H 2.928033 2.104805 1.638603
H 2.236391 0.728010 2.525898
H 4.463382 -0.273339 2.870758
H 4.859337 1.468431 2.996588
H 6.192765 -0.019230 1.149528
H 5.529201 1.566686 0.623680
H 2.311887 -1.631300 1.399866
H 2.195357 -1.619458 -0.386389
H 4.724642 0.920940 -1.695368
H 3.791765 -0.591209 -1.866242
H 0.123867 -0.670692 1.509747
H 6.813767 -0.436999 -1.173947
H 5.856726 -1.943812 -1.300556
H 6.106408 -0.906386 -2.744286
H -5.404020 0.814755 0.145046
H -3.532593 -3.571360 1.261108
H -1.806785 -4.099600 1.443050
H -2.437496 -2.697052 2.395769
H -5.749086 -1.445093 0.632184
H -0.159335 3.225845 -2.404820
H -0.477899 1.481275 -2.788618
H -1.833792 2.701320 -2.835580


