%chk=000001578.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001578

1 1
 Br  -4.921300       1.080400     -4.3000001E-03
 O   -3.824300      -1.828200     -1.9999999E-04
 N   0.4013000       1.664600      2.3000001E-03
 N    3.654000      1.5200000E-02 -1.3000000E-03
 C   0.9701000     -0.4920000      8.9999998E-04
 C  -0.4572000     -0.3945000      1.4000000E-03
 C    1.474500      0.8076000      1.1000000E-03
 C  -0.7817000      0.9628000      1.2000001E-03
 C    2.833900       1.068700      3.0000001E-04
 C    1.881800      -1.562400      1.9999999E-04
 C   -1.505300      -1.338600      1.2000001E-03
 C   -2.102800       1.425100      3.0000001E-04
 C    3.237500      -1.254800     -1.3000000E-03
 C   -2.831300     -0.8915000      3.9999999E-04
 C   -3.123500      0.4704000      9.9999997E-05
 C    5.094300      0.2672000     -2.3000001E-03
 H   0.4704000       2.672900      2.7000001E-03
 H    3.257400       2.065400     -4.6999999E-03
 H    1.547900      -2.594600     -1.2000001E-03
 H   -1.276600      -2.401100      1.1000000E-03
 H   -2.314400       2.490000     -3.0000001E-04
 H    3.997400      -2.028000     -7.8999996E-03
 H    5.303300       1.257000      0.4129000    
 H    5.592700     -0.4847000      0.6164000    
 H    5.440500      0.2069000      -1.037600    
 H   -3.427800      -2.716200      9.9999997E-05


%chk=000001578-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001578

1 1
Br -4.987856 1.039715 -0.006736
O -3.949147 -1.787795 -0.008107
N 0.403383 1.722000 0.006735
N 3.719460 0.028224 0.017725
C 0.963323 -0.517384 0.003630
C -0.475409 -0.423320 0.001114
C 1.477226 0.843640 0.006971
C -0.796482 0.979182 0.002577
C 2.849553 1.098311 0.013657
C 1.898248 -1.578279 0.005392
C -1.516233 -1.385297 -0.002236
C -2.125773 1.439609 0.000060
C 3.264465 -1.281894 0.012165
C -2.851872 -0.939653 -0.004569
C -3.146011 0.471267 -0.003409
C 5.192266 0.279484 -0.019732
H 0.459651 2.739719 0.009494
H 3.286868 2.098044 0.014343
H 1.588191 -2.625663 0.004520
H -1.295261 -2.458490 -0.003119
H -2.377679 2.503204 0.000967
H 4.032035 -2.057207 0.011821
H 5.407911 1.281104 0.380458
H 5.706880 -0.466901 0.603863
H 5.558262 0.210721 -1.057476
H -3.695197 -2.744743 -0.008608


