%chk=000127587.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127587

0 1
 Br   5.345200      -1.460200     -5.0000002E-04
 C   0.1963000      0.1932000     -1.9999999E-04
 C  -0.1654000      -1.176300       0.000000    
 C  -0.8673000       1.131900     -3.0000001E-04
 C   -1.517800      -1.560700      9.9999997E-05
 C   -2.223200      0.7522000     -3.0000001E-04
 C   -2.552000     -0.6152000     -9.9999997E-05
 C    1.592000      0.5513000     -1.9999999E-04
 C    2.571100     -0.4764000      9.9999997E-05
 C   0.8274000      -2.159800      3.0000001E-04
 C    2.174900      -1.815600      3.0000001E-04
 C  -0.6565000       2.618800      1.7000000E-03
 C   -1.875900      -3.024300      3.9999999E-04
 C   -3.256400       1.705400     -5.0000002E-04
 C   -3.903500      -1.001100       0.000000    
 C    2.072500       1.885200     -3.9999999E-04
 C    3.940700     -0.1611000      1.9999999E-04
 C   -4.594100       1.309200     -1.9999999E-04
 C   -4.917500     -4.3499999E-02 -1.9999999E-04
 C    3.437600       2.185400     -1.9999999E-04
 C    4.372000       1.161700      9.9999997E-05
 H   0.6201000      -3.224400     -3.1599998E-02
 H    2.881400      -2.640200     -6.3999998E-03
 H  -0.1425000       2.905200      0.9262000    
 H  -0.1518000       2.910800     -0.9261000    
 H   -1.491500       3.309200      1.1300000E-02
 H   -2.845200      -3.257500      0.4436000    
 H   -1.850500      -3.420600      -1.019700    
 H   -1.207400      -3.612500      0.6367000    
 H   -3.153100       2.779600     -3.7000000E-03
 H   -4.240100      -2.030600     -3.2499999E-02
 H    1.508500       2.793700     -3.8999999E-03
 H   -5.384000       2.055000     -2.4999999E-03
 H   -5.958600     -0.3531000     -7.7000000E-03
 H    3.768000       3.220500     -1.2000001E-03
 H    5.428600       1.416500     -9.9999997E-05


%chk=000127587-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127587

0 1
Br 5.406257 -1.419000 0.411564
C 0.171234 0.219346 0.057916
C -0.197089 -1.194027 0.051615
C -0.860355 1.190576 0.210773
C -1.552805 -1.616410 -0.037120
C -2.233329 0.780339 0.066945
C -2.585402 -0.624354 -0.107020
C 1.606139 0.561310 -0.074098
C 2.609298 -0.462639 0.139234
C 0.857255 -2.178232 0.214650
C 2.184316 -1.832152 0.326709
C -0.594017 2.629129 0.642149
C -1.870999 -3.105186 -0.037033
C -3.295953 1.753845 0.064799
C -3.975039 -0.959087 -0.294364
C 2.052546 1.849103 -0.499898
C 3.986361 -0.088581 0.067084
C -4.627974 1.389767 -0.118656
C -4.971615 0.013744 -0.302671
C 3.416199 2.166005 -0.595495
C 4.405452 1.202027 -0.274939
H 0.583631 -3.234220 0.281204
H 2.944629 -2.599470 0.496542
H 0.395494 2.732987 1.111372
H -0.653936 3.359045 -0.189617
H -1.342593 2.935960 1.393463
H -2.941975 -3.309736 -0.169378
H -1.335223 -3.635053 -0.846103
H -1.571456 -3.576799 0.918292
H -3.051545 2.813507 0.176609
H -4.264531 -2.002235 -0.444513
H 1.324343 2.597542 -0.812318
H -5.411496 2.155264 -0.133497
H -6.018036 -0.272514 -0.454771
H 3.725511 3.161593 -0.930024
H 5.468704 1.450304 -0.326904


