%chk=000027729.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027729

0 1
 Br  -4.968300      -1.164900     -0.6876000    
 O   0.8616000     -0.8225000      0.8639000    
 O    3.282800      0.3180000      0.9475000    
 N   -1.057400       2.632700     -0.1221000    
 N    4.141900     -0.8761000     -0.8009000    
 N    5.386900     -0.2830000     -0.7449000    
 C  -0.6560000       1.597100      0.8294000    
 C   -1.244200      0.2559000      0.4799000    
 C  -0.4541000     -0.8855000      0.5157000    
 C   -2.584800      0.1843000      0.1242000    
 C   -1.014300      -2.120600      0.1902000    
 C  -0.6103000       2.288200      -1.471100    
 C  -0.5185000       3.931700      0.2789000    
 C   -3.145100      -1.051000     -0.2015000    
 C   -2.359700      -2.203400     -0.1685000    
 C    1.810000      -1.266000     -0.1045000    
 C    3.129400     -0.5351000      7.1500003E-02
 H   -1.015800       1.854100       1.834500    
 H   0.4385000       1.551600      0.8902000    
 H   -3.206800       1.076000      0.1123000    
 H  -0.4176000      -3.028300      0.2195000    
 H   -1.102600       1.396500      -1.870900    
 H   0.4747000       2.136000      -1.520300    
 H  -0.8641000       3.095100      -2.169100    
 H  -0.8605000       4.717600     -0.4038000    
 H   0.5776000       3.940500      0.2928000    
 H  -0.8784000       4.206600       1.276600    
 H   -2.781300      -3.173800     -0.4176000    
 H    1.453900      -1.075100      -1.124700    
 H    1.987700      -2.338800      2.7500000E-02
 H    3.996600      -1.581500      -1.517100    
 H    6.067400      -1.033600     -0.6346000    
 H    5.562400      0.1233000      -1.663000    


%chk=000027729-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000027729

0 1
Br -4.964984 -1.095178 0.045418
O 1.194353 -0.829813 -0.295203
O 4.345931 -2.512673 -0.978929
N -1.031145 2.727255 0.269800
N 3.765009 -0.340739 -0.338959
N 5.091737 0.165140 -0.290814
C -0.178676 1.527845 0.402278
C -0.921842 0.230011 0.092830
C -0.211675 -0.954154 -0.250174
C -2.329502 0.167946 0.178493
C -0.892936 -2.164342 -0.514999
C -1.291130 3.087797 -1.140114
C -0.537115 3.872927 1.058704
C -3.002520 -1.041474 -0.081938
C -2.303440 -2.210915 -0.431199
C 1.984193 -2.006837 -0.675826
C 3.473106 -1.644714 -0.678845
H 0.187029 1.481937 1.447647
H 0.733681 1.584798 -0.242829
H -2.858552 1.086690 0.449762
H -0.351701 -3.075901 -0.783129
H -1.726775 2.226605 -1.675215
H -0.365932 3.402745 -1.685375
H -2.016749 3.919025 -1.183088
H -1.259193 4.705774 0.987636
H 0.458280 4.254660 0.717747
H -0.450682 3.587331 2.122110
H -2.835184 -3.144323 -0.635024
H 1.707395 -2.358114 -1.689190
H 1.829983 -2.835565 0.042815
H 3.008619 0.306519 -0.107181
H 5.536871 0.091484 -1.216965
H 5.645143 -0.345749 0.412154


