%chk=000126063.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126063

0 1
 Br   6.102200      -1.403100      0.3235000    
 O   0.4377000       2.193600     -0.8878000    
 N   -4.092500     -7.2999999E-02  -1.194400    
 N  -0.5356000      0.2266000     -0.1402000    
 C   -2.812300     -0.5469000     -0.6569000    
 C   -1.912300      0.6526000     -0.2956000    
 C   -2.390600       1.389800      0.9640000    
 C   -3.038100      -1.466200      0.5556000    
 C   -2.599800      0.4467000       2.148500    
 C   -3.520900     -0.7174000       1.797200    
 C   -4.918300      -1.194100      -1.609500    
 C   0.5334000       1.048100     -0.4552000    
 C    1.881800      0.4543000     -0.2651000    
 C    2.947300       1.290600     -3.8000001E-03
 C    2.025900     -0.9146000     -0.3574000    
 C    4.213600      0.7333000      0.1729000    
 C    3.292300      -1.472100     -0.1806000    
 C    4.386200     -0.6482000      8.4700003E-02
 H   -2.305200      -1.128600      -1.439500    
 H   -1.924600       1.369400      -1.127700    
 H   -3.338500       1.898300      0.7470000    
 H   -1.675200       2.171200       1.247500    
 H   -2.082800      -1.947800      0.8051000    
 H   -3.708500      -2.303900      0.3403000    
 H   -3.021800       1.006100       2.991300    
 H   -1.631000      5.6400001E-02   2.483800    
 H   -3.572800      -1.409700       2.645300    
 H   -4.538500     -0.3434000       1.632400    
 H   -3.910800      0.5239000      -2.001300    
 H  -0.3741000     -0.6649000      0.3152000    
 H   -5.395000      -1.696300     -0.7629000    
 H   -4.370300      -1.922100      -2.217000    
 H   -5.738500     -0.8139000      -2.228800    
 H    2.828100       2.367200      7.2899997E-02
 H    1.207400      -1.585900     -0.5956000    
 H    5.055300       1.389100      0.3800000    
 H    3.411500      -2.549700     -0.2600000    


%chk=000126063-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126063

0 1
Br 6.371837 -1.220113 0.386016
O 0.375939 2.099458 -1.023781
N -4.137975 -0.034536 -1.124325
N -0.536455 0.169303 -0.096630
C -2.843101 -0.575640 -0.647102
C -1.934424 0.625627 -0.251612
C -2.452099 1.345182 1.023972
C -3.049301 -1.534957 0.558596
C -2.648450 0.368636 2.206960
C -3.583741 -0.797877 1.808640
C -5.053727 -1.008460 -1.749080
C 0.534100 0.949958 -0.498614
C 1.910542 0.371698 -0.275705
C 3.000928 1.277076 -0.246595
C 2.165600 -1.016212 -0.129257
C 4.319576 0.819143 -0.048042
C 3.480969 -1.493197 0.063785
C 4.542128 -0.565486 0.110291
H -2.317141 -1.144303 -1.457667
H -1.907324 1.357207 -1.082417
H -3.424813 1.811375 0.777991
H -1.747689 2.155953 1.286002
H -2.079588 -2.023447 0.798043
H -3.730020 -2.357590 0.269436
H -3.065718 0.913496 3.074866
H -1.666289 -0.033961 2.534537
H -3.694804 -1.510641 2.648561
H -4.587591 -0.393089 1.578524
H -3.988463 0.781489 -1.732735
H -0.364533 -0.676197 0.448634
H -5.473486 -1.692245 -0.989379
H -4.574926 -1.635370 -2.540823
H -5.902142 -0.467938 -2.204234
H 2.792180 2.341832 -0.391293
H 1.354315 -1.749826 -0.203426
H 5.155455 1.523690 -0.019298
H 3.674930 -2.564638 0.165063


