%chk=000047560.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047560

0 1
 Br   5.251500      0.9625000      1.3000000E-03
 O   8.5000005E-03   2.604100     -2.4000001E-03
 O  -0.5359000      -2.711200     -2.4999999E-03
 O    2.001100      -3.060600      5.0000002E-04
 O   -3.092100      -2.532900      1.7000000E-03
 N    2.552900       2.482800      2.2000000E-03
 N   -2.532200       3.004600     -6.9999998E-04
 C    1.077300      0.5098000     -3.9999999E-04
 C   -1.455300      0.7721000     -3.0000001E-04
 C   0.9333000     -0.8792000     -6.0000003E-04
 C   -1.599200     -0.6169000       0.000000    
 C  -0.1119000       1.386200     -8.9999998E-04
 C  -0.4100000      -1.493300     -6.9999998E-04
 C    2.356100       1.079400      1.9999999E-04
 C   -2.590400       1.591700       0.000000    
 C    2.068500      -1.698700     -5.0000002E-04
 C   -2.878200      -1.186400      6.9999998E-04
 C    3.484600      0.2591000      3.0000001E-04
 C    3.341200      -1.127000     -9.9999997E-05
 C   -3.863100       1.020000      8.9999998E-04
 C   -4.006700     -0.3660000      1.3000000E-03
 H    4.221900      -1.766000      1.9999999E-04
 H   -4.755300       1.641800      1.3000000E-03
 H   -5.002900     -0.8008000      2.0999999E-03
 H    3.495100       2.851500      3.9999999E-04
 H    1.772100       3.122400     -8.9999998E-04
 H   -1.645000       3.486800     -1.0000000E-03
 H   -3.387900       3.544300     -9.9999997E-05
 H    2.899200      -3.433500      6.0000003E-04
 H   -2.252000      -3.015100      4.6999999E-03


%chk=000047560-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047560

0 1
Br 5.328466 1.000458 -0.001215
O 0.024136 2.720374 0.000231
O -0.621996 -2.788149 0.001775
O 1.972433 -3.119899 0.000789
O -3.075192 -2.559940 0.000908
N 2.564554 2.497308 -0.000590
N -2.543101 3.022172 -0.000245
C 1.073328 0.531911 0.000233
C -1.448783 0.821148 0.000367
C 0.920973 -0.906740 0.000562
C -1.595319 -0.607608 0.000666
C -0.113968 1.410418 0.000370
C -0.430952 -1.495177 0.000953
C 2.391072 1.137182 -0.000239
C -2.626837 1.649385 0.000154
C 2.085518 -1.729267 0.000453
C -2.897367 -1.204143 0.000728
C 3.516096 0.249385 -0.000508
C 3.376625 -1.136323 -0.000119
C -3.920731 1.016837 0.000319
C -4.055377 -0.366829 0.000605
H 4.270253 -1.771062 -0.000253
H -4.815289 1.650992 0.000218
H -5.038034 -0.847137 0.000735
H 3.503142 2.892488 -0.000471
H 1.692796 3.058164 0.000555
H -1.586030 3.416204 -0.000455
H -3.385528 3.593099 -0.000480
H 2.872959 -3.536466 0.000699
H -2.092646 -2.967287 0.000553


