%chk=000050185.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050185

0 1
 Br  -4.752400      -3.327800      0.4684000    
 O   -2.173500       1.994900     -0.7737000    
 O   -4.829600       1.881500     -1.0600000E-02
 N   0.3158000     -0.2110000      0.1410000    
 C    1.710900     -0.1851000     -0.2855000    
 C    2.663900     -5.1700000E-02  0.9106000    
 C  -0.5735000     -0.3478000      -1.003400    
 C   -2.020300     -0.3840000     -0.5883000    
 C    4.092800      2.6000000E-03  0.4862000    
 C   -2.752200      0.7923000     -0.4941000    
 C   -2.604600      -1.611700     -0.3046000    
 C   -4.092000      0.7403000     -0.1096000    
 C    4.830400      -1.175500      0.3672000    
 C    4.691800       1.231300      0.2088000    
 C   -3.944300      -1.663700      8.0100000E-02
 C   -4.688000     -0.4877000      0.1776000    
 C    6.166800      -1.124700     -2.9300001E-02
 C    6.028100       1.282100     -0.1878000    
 C    6.765600      0.1041000     -0.3067000    
 C   -4.835600       2.541600       1.253600    
 H    1.949400      -1.106900     -0.8313000    
 H    1.874600      0.6532000     -0.9750000    
 H    2.514700     -0.8913000       1.602800    
 H    2.418300      0.8503000       1.487000    
 H  -0.3461000      -1.284900      -1.530400    
 H  -0.4024000      0.4384000      -1.749500    
 H   0.1035000      0.6504000      0.6440000    
 H   -2.021400      -2.526400     -0.3797000    
 H    4.374800      -2.139300      0.5787000    
 H    4.127600       2.156100      0.2959000    
 H   -5.733400     -0.5185000      0.4757000    
 H    6.740900      -2.041800     -0.1225000    
 H    6.494400       2.238800     -0.4045000    
 H    7.806100      0.1437000     -0.6157000    
 H   -1.209400       1.937100     -0.6819000    
 H   -5.261300       1.890400       2.023700    
 H   -5.457600       3.436900       1.169700    
 H   -3.822400       2.844500       1.535600    


%chk=000050185-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000050185

0 1
Br -3.766003 -3.331435 1.761887
O -2.971244 2.094393 -1.095966
O -5.574853 1.184852 -0.338579
N 0.463097 -0.125643 0.350838
C 1.856733 0.105948 -0.078290
C 2.848214 -0.609439 0.873415
C -0.566574 0.456204 -0.521022
C -1.978001 0.045015 -0.103791
C 4.290208 -0.440552 0.418695
C -3.094908 0.873121 -0.399447
C -2.182502 -1.200818 0.538343
C -4.410808 0.467738 -0.028774
C 4.866066 -1.352253 -0.503803
C 5.076040 0.651238 0.869346
C -3.487294 -1.594402 0.878511
C -4.600697 -0.778203 0.612204
C 6.190166 -1.178472 -0.965410
C 6.401150 0.829920 0.410830
C 6.962767 -0.084773 -0.509927
C -5.623111 2.624431 -0.002392
H 1.975833 -0.302526 -1.101021
H 2.124482 1.190786 -0.133743
H 2.568748 -1.678343 0.912485
H 2.720698 -0.200287 1.895948
H -0.366067 0.106025 -1.555020
H -0.489165 1.581755 -0.565942
H 0.310204 0.110331 1.340940
H -1.312109 -1.829273 0.740926
H 4.274774 -2.207255 -0.855380
H 4.649724 1.360628 1.590267
H -5.619073 -1.070762 0.878360
H 6.620337 -1.896069 -1.673383
H 6.995510 1.676273 0.773764
H 7.991076 0.049742 -0.863709
H -2.016400 2.302728 -1.261495
H -5.460922 2.770765 1.083067
H -6.642356 2.938570 -0.273226
H -4.873340 3.190742 -0.577006


