%chk=000128336.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128336

0 1
 Br   8.111000      0.6729000     -0.2653000    
 O    4.064700      0.6228000      0.1305000    
 O   -6.800800      0.3078000      -1.065500    
 O    5.536800     -0.5874000      -1.163800    
 C  -0.6408000     -0.9096000      0.3383000    
 C   -1.338300      0.3771000     -0.2114000    
 C   0.7943000     -0.9543000     -0.1971000    
 C    1.626500      0.2704000      0.2297000    
 C   -2.840500      0.4765000      0.2527000    
 C   -3.560300     -0.8378000     -0.1943000    
 C  -0.4979000       1.654800      5.6600001E-02
 C   0.9750000       1.521800     -0.3723000    
 C   -1.422100      -2.172300     -4.8799999E-02
 C    2.979900     -0.1161000     -0.3970000    
 C    1.688100      -2.137000      0.1674000    
 C   -2.888300      -2.096200      0.3666000    
 C    3.114600      -1.621700     -9.6500002E-02
 C   -3.552700       1.657600     -0.4674000    
 C    1.774100      0.4506000       1.762100    
 C   -2.932700      0.6997000       1.782800    
 C   -5.060100     -0.8381000      0.1140000    
 C   -5.059000       1.716600     -0.2232000    
 C   -5.718200      0.3834000     -0.4847000    
 C    5.314200      0.2878000     -0.3394000    
 C    6.332400       1.170800      0.3261000    
 H  -0.6080000     -0.8722000       1.432000    
 H   -1.360300      0.2709000      -1.307900    
 H   0.7208000     -0.9585000      -1.297800    
 H   -3.472300     -0.8956000      -1.291000    
 H  -0.5365000       1.922500       1.116700    
 H  -0.9247000       2.502600     -0.4904000    
 H    1.014800       1.476800      -1.468400    
 H    1.526900       2.423600     -8.1200004E-02
 H  -0.9686000      -3.054300      0.4182000    
 H   -1.364900      -2.326400      -1.134000    
 H    2.942000      4.0700000E-02  -1.484200    
 H    1.465200      -3.021500     -0.4380000    
 H    1.572400      -2.417800       1.220100    
 H   -3.404700      -2.990000     -4.6000001E-03
 H   -2.968400      -2.124300       1.459500    
 H    3.759700      -1.824500      0.7659000    
 H    3.544900      -2.149200     -0.9552000    
 H   -3.380400       1.573500      -1.548900    
 H   -3.122600       2.616600     -0.1568000    
 H    2.366100       1.345000       1.989300    
 H   0.8132000      0.5699000       2.269400    
 H    2.279800     -0.3968000       2.235700    
 H   -2.518000       1.672200       2.067600    
 H   -3.964900      0.6891000       2.144200    
 H   -2.396400     -6.3400000E-02   2.352200    
 H   -5.265200     -0.8571000       1.188700    
 H   -5.527500      -1.727100     -0.3260000    
 H   -5.503800       2.464700     -0.8887000    
 H   -5.285300       2.014700      0.8053000    
 H    6.308600       1.036600       1.409400    
 H    6.179600       2.214200      4.3800000E-02


%chk=000128336-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128336

0 1
Br 8.086544 1.487222 -0.728529
O 4.142765 0.500395 0.213769
O -6.747218 0.469203 -1.363006
O 5.434184 -0.040392 -1.662421
C -0.669465 -0.981928 0.407814
C -1.317745 0.329717 -0.156499
C 0.783255 -1.070992 -0.100183
C 1.659675 0.155804 0.316400
C -2.830939 0.484818 0.267502
C -3.583070 -0.806165 -0.224318
C -0.447322 1.585593 0.142207
C 1.033380 1.427990 -0.296872
C -1.487965 -2.229958 -0.006221
C 2.996183 -0.301088 -0.318262
C 1.655567 -2.303078 0.268930
C -2.981059 -2.102442 0.362165
C 3.125670 -1.816852 0.020998
C -3.461241 1.700647 -0.481973
C 1.822814 0.303084 1.852994
C -2.968995 0.692394 1.801065
C -5.118865 -0.735982 0.005463
C -5.001895 1.818485 -0.309254
C -5.726904 0.512974 -0.622849
C 5.293730 0.549044 -0.574812
C 6.289918 1.457305 0.141785
H -0.654816 -0.933775 1.517211
H -1.326537 0.206852 -1.266584
H 0.722827 -1.042542 -1.214317
H -3.422652 -0.847973 -1.326063
H -0.481460 1.819867 1.223294
H -0.871711 2.463648 -0.378855
H 1.079882 1.356877 -1.404105
H 1.606412 2.329811 -0.005430
H -1.055064 -3.134207 0.463518
H -1.397054 -2.367607 -1.105261
H 2.980154 -0.151325 -1.415039
H 1.404502 -3.186784 -0.342397
H 1.506928 -2.586754 1.328036
H -3.541519 -2.976629 -0.024371
H -3.105458 -2.112669 1.464046
H 3.749058 -1.939871 0.925222
H 3.623539 -2.360456 -0.798542
H -3.228039 1.611908 -1.563214
H -3.004894 2.645624 -0.132893
H 2.514070 1.134175 2.075562
H 0.860773 0.518031 2.346560
H 2.240300 -0.607891 2.316011
H -2.510012 1.649363 2.108776
H -4.026066 0.724453 2.118813
H -2.482959 -0.111864 2.379732
H -5.329354 -0.724502 1.095724
H -5.619582 -1.626253 -0.415184
H -5.415541 2.617937 -0.948212
H -5.230315 2.087687 0.743079
H 6.435075 1.119663 1.178578
H 5.919911 2.494405 0.145413


