%chk=000226739.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226739

0 1
 Br  -1.030000      -3.325900     -0.3590000    
 O    3.477600     -7.8699999E-02 -0.1996000    
 O   -3.104300      0.4937000     -0.4227000    
 O    2.569400       1.955000      0.3437000    
 O   -3.093000      -1.027700       1.292300    
 N   0.9840000      -1.253400     -0.1567000    
 C  -0.1070000      0.6079000      0.3698000    
 C    1.139300      8.1799999E-02  0.1103000    
 C   -1.044400     -0.4484000      0.2549000    
 C  -0.3424000      -1.587600     -7.1300000E-02
 C  -0.4122000       2.014900      0.7054000    
 C    2.407000      0.7430000      0.1029000    
 C   -2.467700     -0.3757000      0.4395000    
 C    4.778400      0.5198000     -0.2248000    
 C   -4.525400      0.6145000     -0.2933000    
 C    5.802000     -0.5398000     -0.5728000    
 C   -5.031300       1.606800      -1.318600    
 H    1.730900      -1.896300     -0.3818000    
 H   0.1911000       2.351500       1.555100    
 H  -0.2032000       2.667100     -0.1489000    
 H   -1.460900       2.156900      0.9832000    
 H    4.797200       1.316100     -0.9769000    
 H    5.002300      0.9436000      0.7602000    
 H   -4.990000     -0.3632000     -0.4617000    
 H   -4.769600      0.9655000      0.7153000    
 H    6.809700     -0.1161000     -0.6008000    
 H    5.780100      -1.352400      0.1610000    
 H    5.578500     -0.9859000      -1.547600    
 H   -6.116100       1.724200      -1.247300    
 H   -4.559200       2.584200      -1.174100    
 H   -4.776700       1.277700      -2.331500    


%chk=000226739-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000226739

0 1
Br -0.531081 -3.597690 0.016743
O 3.485371 -0.065241 -0.099283
O -3.109518 0.575359 -0.205225
O 2.579326 2.096788 -0.225871
O -3.178078 -1.753305 -0.112953
N 1.127336 -1.277967 -0.075247
C -0.192737 0.582977 -0.182282
C 1.142763 0.128159 -0.144006
C -1.036886 -0.598133 -0.135198
C -0.169685 -1.719621 -0.070129
C -0.615858 2.024981 -0.257209
C 2.410165 0.852933 -0.163429
C -2.506509 -0.690827 -0.148149
C 4.852197 0.533769 -0.111335
C -4.603555 0.570135 -0.220731
C 5.843621 -0.617083 0.026154
C -5.047755 2.028406 -0.279067
H 1.975816 -1.843686 -0.036455
H 0.267559 2.681090 -0.278917
H -1.231670 2.205857 -1.155525
H -1.252061 2.290904 0.605001
H 4.978115 1.089490 -1.058152
H 4.922294 1.255276 0.722495
H -4.941409 -0.011535 -1.097580
H -4.960228 0.054017 0.689011
H 6.875605 -0.221645 0.022098
H 5.687295 -1.163210 0.972331
H 5.744406 -1.329203 -0.811239
H -6.151693 2.082380 -0.292060
H -4.683404 2.587875 0.599621
H -4.665642 2.521851 -1.189209


