%chk=000124279.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000124279

0 1
 Br   3.275300       3.204500      0.5357000    
 O   -5.860500      -1.517400     -0.2245000    
 O    4.782000      0.5876000      0.4349000    
 O    3.400900      -3.154100     -0.1987000    
 O    5.089300      -1.800900      0.1958000    
 N    3.869600      -2.009700      6.9999998E-04
 C   -3.112600      0.6047000     -0.3569000    
 C   -3.639200     -0.6822000      0.3122000    
 C   -1.660800      0.8761000      3.3300001E-02
 C  -0.7852000     -0.3026000     -0.4950000    
 C   -2.847400      -1.858000     -0.2491000    
 C   -4.190100       1.643400     -6.7000002E-02
 C   -1.334500      -1.675400     -1.7800000E-02
 C   -1.125900       2.188500     -0.5416000    
 C   -5.091700     -0.5715000     -0.1148000    
 C   -5.487800      0.8751000     -0.3587000    
 C   0.6946000     -6.2300000E-02 -0.2101000    
 C   -3.635300     -0.6952000       1.852100    
 C   0.2772000       2.455200     -4.3000001E-03
 C    1.184600       1.249200     -2.4599999E-02
 C    1.617900      -1.122800     -0.2128000    
 C    2.556400       1.458600      0.2016000    
 C    2.979200     -0.8996000      4.6999999E-03
 C    3.448300      0.3903000      0.2165000    
 C    5.595700      0.8187000     -0.7114000    
 H   -3.126600      0.4652000      -1.452000    
 H   -1.578600      0.9365000       1.126200    
 H  -0.8643000     -0.3072000      -1.593400    
 H   -3.036400      -1.960200      -1.325900    
 H   -3.177800      -2.800800      0.2036000    
 H   -4.106700       2.527200     -0.7071000    
 H   -4.157200       1.981700      0.9743000    
 H   -1.105000      -1.813300       1.046000    
 H  -0.8303000      -2.491300     -0.5482000    
 H   -1.772100       3.031900     -0.2745000    
 H   -1.104000       2.137200      -1.638000    
 H   -5.785400      0.9880000      -1.405100    
 H   -6.294700       1.179400      0.3113000    
 H   -2.630100     -0.6213000       2.275100    
 H   -4.232300      0.1178000       2.278900    
 H   -4.076000      -1.628500       2.223400    
 H   0.1945000       2.807500       1.031900    
 H   0.6938000       3.266500     -0.6117000    
 H    1.257900      -2.130200     -0.3988000    
 H    6.618400      0.5106000     -0.4754000    
 H    5.610100       1.885000     -0.9537000    
 H    5.252400      0.2549000      -1.585900    


%chk=000124279-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000124279

0 1
Br 3.321657 3.234705 0.474428
O -5.920087 -1.621709 -0.224885
O 4.826047 0.562217 0.540109
O 3.235350 -3.242648 0.383135
O 5.010363 -2.061991 -0.419950
N 3.788066 -2.143852 -0.016262
C -3.153223 0.642302 -0.335558
C -3.652695 -0.701583 0.275145
C -1.678236 0.920937 -0.001560
C -0.820529 -0.256468 -0.567505
C -2.847438 -1.866531 -0.333477
C -4.261175 1.665313 0.033061
C -1.325280 -1.656978 -0.104133
C -1.155294 2.238990 -0.604598
C -5.154112 -0.641690 -0.068926
C -5.566278 0.845202 -0.186330
C 0.674995 -0.024172 -0.299368
C -3.597856 -0.745634 1.836286
C 0.290977 2.525746 -0.152517
C 1.195375 1.301265 -0.127463
C 1.565843 -1.113587 -0.234308
C 2.586100 1.450836 0.113127
C 2.947285 -0.927420 -0.038132
C 3.504815 0.368173 0.153796
C 5.819552 0.851214 -0.526640
H -3.205814 0.513715 -1.443415
H -1.549726 0.968102 1.100877
H -0.962815 -0.221358 -1.673335
H -3.054165 -1.921332 -1.421442
H -3.164072 -2.833703 0.098383
H -4.230975 2.571598 -0.595971
H -4.168144 1.991578 1.085847
H -1.073311 -1.802470 0.964487
H -0.790194 -2.450381 -0.658826
H -1.798186 3.087504 -0.305396
H -1.204699 2.172802 -1.710814
H -5.981830 1.002434 -1.200617
H -6.380068 1.076999 0.523971
H -2.559632 -0.716861 2.206416
H -4.143751 0.093900 2.302382
H -4.059844 -1.685016 2.188818
H 0.282994 2.963138 0.867464
H 0.745421 3.303569 -0.794726
H 1.211528 -2.141074 -0.335114
H 6.759492 1.036226 0.012761
H 5.523714 1.752247 -1.094142
H 5.919451 -0.027453 -1.183883


