%chk=000127216.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127216

0 1
 Br  -6.540600      -1.847200     -1.6300000E-02
 O    2.356900     -0.9342000      -2.230800    
 O   -6.047000       1.432000      0.9415000    
 O    7.307900     -0.4982000      0.5678000    
 O    6.846000       2.238900      0.7149000    
 N   0.4260000      -2.022000     -0.3960000    
 N   -4.496200      0.8043000     -0.6687000    
 C   -1.259200     -0.4610000      0.4513000    
 C   -3.378900       1.572800     -0.1413000    
 C  -0.7414000      -1.897700      0.4862000    
 C   -2.491200     -0.3075000       1.350800    
 C   -1.575800     -3.4499999E-02 -0.9869000    
 C   -3.059000       1.112400       1.295200    
 C   -2.143000       1.385600      -1.044100    
 C   -3.784600       3.053000     -0.1271000    
 C   -1.825100      -2.866100     -5.7999999E-03
 C  -0.3132000      -2.274800       1.910500    
 C    1.483400      -1.121500      2.8700000E-02
 C   -5.739500      0.8059000     -7.1199998E-02
 C    2.708800      -1.249900     -0.8844000    
 C   -6.724000     -7.8199998E-02 -0.7876000    
 C    3.820200     -0.3175000     -0.4550000    
 C    5.060500     -0.8444000     -0.1393000    
 C    3.572500       1.042700     -0.3873000    
 C    6.085300      1.5400000E-02  0.2562000    
 C    4.597100       1.902500      8.5000005E-03
 C    5.853500       1.388900      0.3302000    
 H  -0.5293000      0.2420000      0.8705000    
 H   -3.297100     -0.9894000       1.067100    
 H   -2.242300     -0.5241000       2.395300    
 H  -0.6813000     -5.6400001E-02  -1.619100    
 H   -2.305100     -0.6983000      -1.459000    
 H   -2.309900       1.792300       1.725300    
 H   -3.923100       1.173900       1.963800    
 H   -2.391700       1.628800      -2.085300    
 H   -1.353200       2.085400     -0.7397000    
 H   -4.574800       3.279300      0.5944000    
 H   -2.930700       3.686600      0.1411000    
 H   -4.135600       3.376100      -1.114400    
 H   -2.146800      -2.686300      -1.034900    
 H   -2.709100      -2.894200      0.6369000    
 H   -1.433400      -3.892800      3.7000000E-03
 H   0.2277000      -1.474900       2.428000    
 H   0.3147000      -3.174600       1.919900    
 H   -1.183000      -2.515400       2.533700    
 H   0.7681000      -2.982600     -0.3913000    
 H   -4.353700      0.2525000      -1.509700    
 H    1.822500      -1.318300       1.050800    
 H    1.156200     -8.3600000E-02 -3.4499999E-02
 H    3.065900      -2.287500     -0.8793000    
 H   -7.746500      0.2652000     -0.6170000    
 H   -6.523400     -0.1499000      -1.858700    
 H    1.610900      -1.507100      -2.477800    
 H    5.239700      -1.914600     -0.1971000    
 H    2.608600       1.466600     -0.6513000    
 H    4.404300       2.970900      5.7700001E-02
 H    7.283000      -1.464500      0.4598000    
 H    6.503800       3.149300      0.7078000    


%chk=000127216-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127216

0 1
Br -5.972576 -0.697159 -2.840055
O 1.836791 -1.108915 -2.076906
O -6.083642 1.490689 0.778787
O 6.984571 0.153717 1.097731
O 6.652057 2.636613 0.070052
N 0.484629 -2.260600 -0.087141
N -4.318214 0.994495 -0.690492
C -1.314353 -0.658285 0.671876
C -3.195000 1.660533 0.047778
C -0.785501 -2.140411 0.726516
C -2.640814 -0.442488 1.451551
C -1.468134 -0.101766 -0.766456
C -3.048975 1.048393 1.471581
C -1.898084 1.385138 -0.759991
C -3.471437 3.181283 0.131633
C -1.781742 -3.139671 0.087517
C -0.515345 -2.561203 2.201822
C 1.685939 -1.493213 0.331261
C -5.620645 0.969542 -0.289132
C 2.649671 -1.403284 -0.899753
C -6.660976 0.276069 -1.177667
C 3.709501 -0.331915 -0.700766
C 4.859190 -0.611158 0.079456
C 3.546781 0.961165 -1.242933
C 5.829226 0.382494 0.332894
C 4.516487 1.958810 -0.996885
C 5.656010 1.686796 -0.208144
H -0.553044 -0.028068 1.185684
H -3.454497 -1.032472 0.985771
H -2.545967 -0.793998 2.495341
H -0.513509 -0.191121 -1.313515
H -2.208145 -0.712502 -1.322749
H -2.273907 1.636009 2.003910
H -3.997647 1.182479 2.020588
H -2.020467 1.753905 -1.798728
H -1.091373 1.992325 -0.304694
H -4.417276 3.375697 0.664369
H -2.652092 3.684397 0.676469
H -3.537161 3.623098 -0.879550
H -1.952482 -2.909845 -0.978082
H -2.752298 -3.128506 0.610893
H -1.385772 -4.172016 0.152179
H 0.153150 -1.840074 2.707708
H -0.032052 -3.556672 2.231206
H -1.448124 -2.628671 2.787848
H 0.715375 -3.261377 -0.196419
H -4.094732 0.527424 -1.575318
H 2.225973 -1.921544 1.202993
H 1.375549 -0.469080 0.598484
H 3.147343 -2.393871 -1.026408
H -7.189353 -0.490496 -0.592206
H -7.377283 1.019954 -1.558112
H 0.956891 -1.553916 -1.852449
H 5.011574 -1.620898 0.488317
H 2.676779 1.159352 -1.874129
H 4.391808 2.960783 -1.429460
H 7.011183 -0.788403 1.399957
H 6.430943 3.496539 -0.367332


