%chk=000122086.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122086

0 1
 I    1.532200       3.316700       1.857600    
 I    1.221600      0.1899000      -3.374400    
 I    2.401500      -2.805000       1.894300    
 Br  -1.090700      -3.423800      -1.819000    
 O    2.443200       1.827200     -0.8663000    
 O   -5.927900     -0.4799000      0.5989000    
 O   -5.256600       1.274100       1.857300    
 O   -2.054000      -2.207400      0.9302000    
 O    5.553500      -2.163800       1.324400    
 N   -3.549800     -0.9880000     -0.3639000    
 C   -3.161700       1.435100     -0.2986000    
 C   -3.598600      0.1837000      0.4743000    
 C   -1.663300       1.540300     -0.4506000    
 C   -1.050900      0.9687000      -1.554400    
 C  -0.9276000       2.206000      0.5169000    
 C   -4.991800      0.3888000       1.050600    
 C    1.087600       1.732000     -0.7288000    
 C   0.4570000       2.302400      0.3770000    
 C   0.3336000       1.065200      -1.694500    
 C   -2.773100      -2.096100     -6.1200000E-02
 C    3.213700      0.8218000     -0.3122000    
 C   -2.873100      -3.184200      -1.095700    
 C    2.589700     -0.2236000      0.3465000    
 C    4.591600      0.8833000     -0.4310000    
 C    3.367400      -1.238800      0.9036000    
 C    5.369200     -0.1317000      0.1260000    
 C    4.757200      -1.192800      0.7932000    
 H   -3.518100       2.343400      0.2059000    
 H   -3.636300       1.461100      -1.289400    
 H   -2.945900      2.3000000E-02   1.341300    
 H   -4.142800      -1.003900      -1.188600    
 H   -1.650200      0.4521000      -2.300100    
 H   -1.432000       2.643200       1.375000    
 H   -3.534500      -2.934100      -1.927200    
 H   -3.184200      -4.121800     -0.6305000    
 H   -6.809100     -0.3079000      0.9941000    
 H    1.514100     -0.3054000      0.4587000    
 H    5.069200       1.708600     -0.9505000    
 H    6.450800     -8.1100002E-02  3.1599998E-02
 H    6.484900      -1.951200       1.142400    


%chk=000122086-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122086

0 1
I 1.363797 3.108262 2.215126
I 1.201932 0.575263 -3.398712
I 2.243872 -3.374856 1.622333
Br -3.009664 -3.585271 -1.951913
O 2.350171 1.768720 -0.582417
O -5.886492 -0.688395 -0.133490
O -5.855422 1.026233 1.440147
O -1.234011 -1.011284 0.880245
O 5.321291 -2.733134 1.083314
N -3.265970 -0.908214 -0.267536
C -3.398167 1.631813 -0.355710
C -3.737177 0.297386 0.419840
C -1.896954 1.799351 -0.481583
C -1.215949 1.323429 -1.626899
C -1.151134 2.329509 0.598879
C -5.242880 0.263591 0.667830
C 0.947060 1.772311 -0.548788
C 0.255375 2.316920 0.563909
C 0.192926 1.311149 -1.656915
C -2.053555 -1.480168 0.028201
C 3.043955 0.599496 -0.141780
C -1.632053 -2.751318 -0.708526
C 2.395583 -0.532986 0.401924
C 4.445159 0.650775 -0.277504
C 3.184341 -1.633985 0.800434
C 5.214878 -0.453683 0.130155
C 4.593802 -1.608691 0.670148
H -3.849921 2.463696 0.214536
H -3.881224 1.592996 -1.349037
H -3.231091 0.348406 1.401764
H -3.906149 -1.382660 -0.913208
H -1.784471 0.942065 -2.480281
H -1.670055 2.722164 1.478865
H -1.378459 -3.530665 0.024638
H -0.756631 -2.539099 -1.341493
H -6.867698 -0.669173 0.029072
H 1.307698 -0.566035 0.525592
H 4.910526 1.546049 -0.697901
H 6.306858 -0.421340 0.027059
H 6.291704 -2.592529 0.952580


