%chk=000063961.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063961

0 1
 Br   4.194400     -0.5775000      -2.802700    
 Br   4.694400       2.400400       1.987200    
 O   -2.231800     -0.6887000      0.7364000    
 O   0.3587000     -0.8538000       2.394900    
 N   0.1558000      -2.079200      0.4104000    
 N    1.732300      -1.760000      -1.341000    
 N   -3.377600      -2.468900      1.3900000E-02
 N   -4.183300      -1.355000     -0.1309000    
 C   -1.037100      -2.777500      0.8868000    
 C   0.6799000      -2.340100     -0.8542000    
 C    1.953500     -0.4698000      0.7291000    
 C   0.7522000      -1.142100       1.268100    
 C    2.392700     -0.8082000     -0.5534000    
 C   -2.278300      -2.015000      0.5142000    
 C    2.635600      0.4860000       1.490600    
 C   -3.827300       1.083500      0.3807000    
 C  -1.9400001E-02  -3.362700      -1.718000    
 C   -3.474100     -0.3395000      0.3033000    
 C    3.529900     -0.1748000      -1.067400    
 C   -2.743500       2.037500     -0.1100000    
 C    3.767000       1.108700      0.9653000    
 C    4.214300      0.7789000     -0.3122000    
 C   -2.730500       2.399600      -1.440000    
 C   -1.812700       2.505800      0.7923000    
 C   -1.739200       3.272200      -1.889000    
 C  -0.8214000       3.378400      0.3432000    
 C  -0.7845000       3.761600     -0.9975000    
 H   -1.000700      -2.861400       1.979100    
 H   -1.088600      -3.795100      0.4918000    
 H    2.289100      0.7462000       2.487700    
 H   -4.082600       1.334600       1.418400    
 H   -4.746000       1.266100     -0.1917000    
 H   -1.079300      -3.123200      -1.828200    
 H   9.0999998E-02  -4.357900      -1.278600    
 H   0.4299000      -3.381000      -2.716000    
 H    5.097600       1.266600     -0.7192000    
 H   -3.468900       2.021000      -2.140000    
 H   -1.833100       2.209900       1.836800    
 H   -1.709800       3.569700      -2.933200    
 H  -7.6700002E-02   3.757500       1.037000    
 H  -1.1800000E-02   4.439800      -1.347300    


%chk=000063961-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063961

0 1
Br 4.701497 -1.249362 -2.674310
Br 5.363256 1.966984 2.084441
O -2.414214 -0.594204 0.866826
O 0.573256 -0.886621 2.487061
N 0.374388 -2.144107 0.511446
N 2.058030 -2.114627 -1.202744
N -2.925280 -2.294221 -0.557708
N -3.863549 -1.213364 -0.781382
C -0.944789 -2.629094 1.008723
C 0.904824 -2.566035 -0.729101
C 2.341206 -0.723415 0.827643
C 1.062120 -1.219144 1.367483
C 2.787005 -1.188345 -0.453024
C -2.099698 -1.891834 0.406036
C 3.091135 0.206614 1.590232
C -4.140670 1.115359 0.237248
C 0.140821 -3.587847 -1.533961
C -3.529349 -0.237960 0.062760
C 4.027078 -0.671440 -0.942975
C -3.220548 2.253491 -0.221584
C 4.297844 0.680681 1.065436
C 4.778684 0.251980 -0.199391
C -3.532288 2.992427 -1.388525
C -2.051861 2.579891 0.512769
C -2.692194 4.046639 -1.815658
C -1.212458 3.632472 0.086011
C -1.530229 4.369611 -1.078928
H -0.937152 -2.474324 2.101590
H -1.058287 -3.699561 0.785736
H 2.704213 0.524063 2.562207
H -4.405608 1.248730 1.303322
H -5.077665 1.119151 -0.343584
H -0.906068 -3.289228 -1.720508
H 0.119503 -4.568923 -1.021066
H 0.663046 -3.712501 -2.492598
H 5.723788 0.634918 -0.591894
H -4.430433 2.743025 -1.966365
H -1.794022 2.008489 1.412356
H -2.944494 4.611567 -2.719853
H -0.312506 3.876706 0.661279
H -0.878228 5.185959 -1.408748


