%chk=000042983.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042983

0 1
 Br -6.3699998E-02   3.212300      -1.409900    
 C   0.4743000     -7.5099997E-02  7.8599997E-02
 C   1.2900000E-02  -1.407100     -6.2399998E-02
 C  -0.5174000      0.9334000      0.1872000    
 C   -1.364000      -1.689400     -9.1799997E-02
 C   -1.897600      0.6559000      0.1589000    
 C   -2.326000     -0.6762000      1.6700000E-02
 C    1.892600      0.1779000      0.1045000    
 C    2.793300     -0.9129000     -1.0800000E-02
 C   0.9308000      -2.454900     -0.1738000    
 C    2.299900      -2.212100     -0.1481000    
 C  -0.1978000       2.392200      0.3451000    
 C   -1.828800      -3.114800     -0.2431000    
 C   -2.857900       1.676500      0.2692000    
 C   -3.702100     -0.9601000     -1.2700000E-02
 C    2.469900       1.465700      0.2393000    
 C    4.182400     -0.7003000      1.1300000E-02
 C   -4.221100       1.381300      0.2385000    
 C   -4.642800      6.3500002E-02  9.7599998E-02
 C    3.853300       1.663800      0.2597000    
 C    4.709900      0.5800000      0.1459000    
 H   0.6469000      -3.492300     -0.3159000    
 H    2.979600      -3.056900     -0.2445000    
 H   0.5628000       2.617800       1.089700    
 H  -0.9644000       2.983400      0.8442000    
 H   -2.811600      -3.322000      0.1828000    
 H   -1.835200      -3.400800      -1.299700    
 H   -1.204200      -3.814900      0.3204000    
 H   -2.664600       2.738700      0.3338000    
 H   -4.113400      -1.952900     -0.1521000    
 H    2.002900       2.422700      0.2041000    
 H    4.871700      -1.538100     -7.8699999E-02
 H   -4.953700       2.180000      0.3121000    
 H   -5.703800     -0.1664000      6.3699998E-02
 H    4.260200       2.668500      0.3358000    
 H    5.785200      0.7291000      0.1544000    


%chk=000042983-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042983

0 1
Br -0.191600 3.939530 -0.424443
C 0.453991 -0.037694 0.098096
C -0.011471 -1.418098 -0.017401
C -0.525085 0.981499 0.338773
C -1.396581 -1.736096 -0.127786
C -1.930287 0.676048 0.192949
C -2.369723 -0.682853 -0.088122
C 1.910820 0.206334 0.009464
C 2.826290 -0.904337 0.124177
C 0.963202 -2.494822 0.044015
C 2.310399 -2.253410 0.177258
C -0.164418 2.306259 0.919837
C -1.810778 -3.193759 -0.264946
C -2.929328 1.705715 0.304134
C -3.779985 -0.922889 -0.263977
C 2.483878 1.487448 -0.266686
C 4.235260 -0.684889 0.103750
C -4.285439 1.432417 0.134329
C -4.717003 0.101594 -0.156523
C 3.874817 1.683307 -0.308018
C 4.764266 0.598692 -0.087889
H 0.608537 -3.527614 0.014353
H 3.021118 -3.083256 0.267539
H 0.851384 2.358095 1.326937
H -0.896368 2.656294 1.659429
H -2.892155 -3.318462 -0.407512
H -1.310089 -3.675425 -1.124723
H -1.537824 -3.771480 0.638641
H -2.622544 2.741295 0.470984
H -4.134617 -1.930463 -0.493616
H 1.842584 2.333652 -0.522398
H 4.902253 -1.548461 0.212349
H -5.019866 2.241920 0.205395
H -5.782075 -0.109187 -0.301065
H 4.269227 2.680561 -0.531253
H 5.847714 0.758037 -0.106049


