%chk=000039591.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039591

0 1
 Br   6.529400      -3.226600     -0.1399000    
 O  -0.3053000      0.3207000      -1.382300    
 N    1.623300       1.908000     -0.2083000    
 N   -1.424100      0.2151000      0.6792000    
 C    3.701900       1.230900      0.9561000    
 C    2.797700       2.382700      0.5133000    
 C    4.195600      0.3703000     -0.2123000    
 C    5.037200     -0.8093000      0.2884000    
 C   0.8294000       1.009900      0.6323000    
 C   0.8054000       3.035000     -0.6603000    
 C  -0.3487000      0.4798000     -0.1665000    
 C    5.545300      -1.698300     -0.8361000    
 C   -2.698500     -0.2876000      0.3240000    
 C   -3.713500      0.5989000     -4.0000002E-03
 C   -2.911000      -1.658100      0.3108000    
 C   -4.969900      0.1035000     -0.3530000    
 C   -4.167500      -2.153400     -3.8400002E-02
 C   -3.501600       2.078200      5.7999999E-03
 C   -1.828400      -2.627100      0.6614000    
 C   -5.196800      -1.272500     -0.3702000    
 H    4.578700       1.669600       1.451300    
 H    3.225100      0.6118000       1.723600    
 H    3.384900       3.045000     -0.1357000    
 H    2.511800       2.971900       1.394600    
 H    4.791900      0.9851000     -0.8969000    
 H    3.349900     -2.5500000E-02 -0.7858000    
 H    4.434700      -1.408500      0.9833000    
 H    5.888600     -0.4284000      0.8667000    
 H   0.4865000       1.517500       1.542600    
 H    1.381400      0.1110000      0.9248000    
 H  -6.8999999E-03   2.738400      -1.329800    
 H   0.3736000       3.592600      0.1795000    
 H    1.417400       3.734000      -1.243100    
 H    4.722300      -2.108500      -1.428100    
 H    6.230600      -1.160200      -1.496900    
 H   -1.247700      0.2217000       1.681600    
 H   -5.783000      0.7753000     -0.6151000    
 H   -4.361900      -3.222600     -5.7799999E-02
 H   -3.125300       2.407800      0.9801000    
 H   -2.788500       2.366300     -0.7735000    
 H   -4.432500       2.624800     -0.1808000    
 H   -1.429000      -2.414600       1.658700    
 H   -2.194000      -3.659700      0.6744000    
 H   -1.017300      -2.575100     -7.2200000E-02
 H   -6.175000      -1.658200     -0.6424000    


%chk=000039591-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039591

0 1
Br 5.916130 -2.514380 -2.790900
O 0.261595 -0.332783 -0.542665
N 1.580775 1.981372 0.899810
N -1.451972 0.221861 0.961259
C 3.913400 1.004496 0.969552
C 2.981105 2.184524 1.331246
C 3.858707 0.622403 -0.526531
C 4.802838 -0.562952 -0.855408
C 0.869277 0.862108 1.524311
C 0.776553 3.207776 0.803263
C -0.122712 0.196968 0.538228
C 4.661827 -0.971280 -2.321831
C -2.576690 -0.386553 0.295833
C -2.918239 -0.021621 -1.038704
C -3.355260 -1.325166 1.037129
C -4.044951 -0.648721 -1.628584
C -4.480198 -1.913545 0.414505
C -2.136921 1.019031 -1.812705
C -2.977006 -1.699341 2.459908
C -4.820835 -1.586187 -0.916068
H 4.945741 1.290851 1.257492
H 3.667218 0.113732 1.583529
H 3.344591 3.091973 0.810570
H 3.063727 2.392827 2.430057
H 4.137472 1.505797 -1.137883
H 2.814211 0.370488 -0.790512
H 4.555176 -1.426714 -0.209048
H 5.853826 -0.288051 -0.642218
H 0.341648 1.164133 2.468804
H 1.598832 0.080241 1.797426
H -0.181409 2.991241 0.295585
H 0.540423 3.668671 1.797124
H 1.313853 3.958666 0.197904
H 3.656518 -1.350408 -2.561024
H 4.946877 -0.168635 -3.019963
H -1.616672 0.586480 1.903778
H -4.317189 -0.382469 -2.656443
H -5.081228 -2.640413 0.973040
H -1.926418 1.909676 -1.190525
H -1.157329 0.615319 -2.126599
H -2.694836 1.345076 -2.706774
H -3.124774 -0.859520 3.169386
H -3.596197 -2.537575 2.820380
H -1.915877 -2.003038 2.529050
H -5.689407 -2.054761 -1.391685


