%chk=000028235.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028235

0 1
 Br  -6.888300      0.1450000     -0.8652000    
 O   9.4400004E-02 -0.3158000      -1.205400    
 N    2.435800      2.7400000E-02  0.2173000    
 N   -1.068500     -0.5017000      0.8256000    
 C    2.348700       1.463800      0.4867000    
 C    3.706900     -0.5076000      0.6908000    
 C    3.151600       2.247800     -0.5500000    
 C    4.062600      -1.783000     -7.1199998E-02
 C    1.315100     -0.6754000      0.8445000    
 C    3.056400       3.753300     -0.2995000    
 C    5.404100      -2.349500      0.3954000    
 C   6.1600000E-02 -0.4727000      1.1000000E-02
 C    3.881700       4.539100      -1.306100    
 C    5.748600      -3.638700     -0.3334000    
 C   -2.419900     -0.3517000      0.4332000    
 C   -3.185800      0.6912000      0.9544000    
 C   -2.986200      -1.247200     -0.4741000    
 C   -4.517500      0.8397000      0.5671000    
 C   -4.318200      -1.099400     -0.8605000    
 C   -2.608200       1.665200       1.929700    
 C   -2.191300      -2.374000      -1.049700    
 C   -5.083600     -5.5700000E-02 -0.3406000    
 H    2.684600       1.700900       1.504900    
 H    1.309500       1.810400      0.4166000    
 H    3.681900     -0.6960000       1.772700    
 H    4.531000      0.1964000      0.5316000    
 H    2.772700       2.023900      -1.555700    
 H    4.208800       1.962800     -0.5396000    
 H    4.114300      -1.568800      -1.146500    
 H    3.293800      -2.551700      6.3500002E-02
 H    1.467100      -1.760600      0.8661000    
 H    1.175000     -0.3512000       1.883100    
 H    3.410000       3.985700      0.7118000    
 H    2.010600       4.076200     -0.3605000    
 H    5.370800      -2.546100       1.473400    
 H    6.199600      -1.615100      0.2234000    
 H    3.536300       4.351700      -2.327800    
 H    3.796400       5.612600      -1.110300    
 H    4.940000       4.265900      -1.245200    
 H    5.818300      -3.472200      -1.413100    
 H    6.712300      -4.024300      1.3800000E-02
 H    4.990300      -4.407100     -0.1520000    
 H  -0.8982000     -0.2810000       1.804400    
 H   -5.115900       1.652100      0.9733000    
 H   -4.758200      -1.796600      -1.570100    
 H   -2.387800       1.168100       2.880000    
 H   -1.691100       2.113700       1.532900    
 H   -3.299600       2.488300       2.141100    
 H   -1.639600      -2.045200      -1.934800    
 H   -1.500700      -2.809100     -0.3205000    
 H   -2.850600      -3.193700      -1.359300    


%chk=000028235-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000028235

0 1
Br -7.069872 0.223574 -0.791397
O -0.034460 0.076363 -1.139192
N 2.487768 0.073423 0.306281
N -1.131943 -0.504047 0.848603
C 2.419094 1.553581 0.412173
C 3.767593 -0.508910 0.778076
C 3.208559 2.268695 -0.703977
C 4.123487 -1.855191 0.110580
C 1.314040 -0.618830 0.832703
C 3.133867 3.808146 -0.584693
C 5.488618 -2.402207 0.587085
C 0.010544 -0.297595 0.062862
C 3.919083 4.529603 -1.701300
C 5.849919 -3.755180 -0.063246
C -2.496405 -0.345346 0.430890
C -3.333054 0.508243 1.211280
C -3.007090 -1.052313 -0.696655
C -4.690205 0.664414 0.846498
C -4.367247 -0.861236 -1.051340
C -2.778760 1.256841 2.410550
C -2.157701 -2.014672 -1.498013
C -5.183650 -0.013157 -0.284146
H 2.772714 1.910126 1.414554
H 1.359357 1.853889 0.318646
H 3.777468 -0.634368 1.893592
H 4.569252 0.214532 0.541650
H 2.796087 1.938068 -1.675482
H 4.272589 1.955967 -0.685121
H 4.130419 -1.709849 -0.986509
H 3.343196 -2.614860 0.322426
H 1.476604 -1.710391 0.743406
H 1.138270 -0.422284 1.929971
H 3.524523 4.123027 0.405378
H 2.071449 4.125349 -0.616823
H 5.476436 -2.513746 1.691118
H 6.280033 -1.659223 0.358490
H 3.531855 4.249993 -2.698854
H 3.845041 5.628521 -1.604661
H 4.991522 4.258725 -1.670527
H 5.894853 -3.665505 -1.164804
H 6.831786 -4.123611 0.286640
H 5.094096 -4.526261 0.178689
H -0.968940 -0.633757 1.851488
H -5.342050 1.319396 1.431792
H -4.776732 -1.392494 -1.915536
H -2.499692 0.573589 3.238489
H -1.873179 1.830976 2.139816
H -3.523807 1.962707 2.812639
H -1.458194 -1.462325 -2.151504
H -1.538456 -2.647442 -0.835376
H -2.787084 -2.672847 -2.120008


