%chk=000073990.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000073990

0 1
 Br  -8.445500       2.872500     -2.2000000E-03
 O   -5.078200      -3.067400      1.7000000E-03
 O    5.547400       2.907800     -6.0999999E-03
 C   -1.192600     -0.2456000       0.000000    
 C    1.661600      8.6000003E-02 -1.6000000E-03
 C  -0.6221000       1.049900      1.3000000E-03
 C    1.091100      -1.209400     -2.4000001E-03
 C  -0.3346000      -1.378700     -2.0000001E-03
 C   0.8037000       1.219200     -9.9999997E-05
 C   -2.625800     -0.4081000      7.9999998E-04
 C    3.095000      0.2486000     -2.0000001E-03
 C   -3.492100      0.7117000      2.9000000E-03
 C    3.961300     -0.8712000     -2.4000001E-03
 C   -3.156000      -1.707500     -3.9999999E-04
 C    3.625200       1.547900     -2.3000001E-03
 C   -1.518300       2.137300      4.4999998E-03
 C    1.987500      -2.296900     -3.4000000E-03
 C  -0.9478000      -2.652000     -3.5999999E-03
 C    1.417000       2.492500     -1.9999999E-04
 C   -4.967800      0.5304000      1.9000000E-03
 C    5.437000     -0.6900000     -5.0000002E-04
 C   -2.903000       1.976700      5.7000001E-03
 C    3.372300      -2.136200     -3.5000001E-03
 C   -2.326500      -2.820500     -2.9000000E-03
 C    2.795600       2.660900     -1.4000000E-03
 C   -4.619000      -1.931900      1.2000001E-03
 C   -5.518900     -0.7624000      1.5000000E-03
 C    5.088300       1.772100     -4.0000002E-03
 C    5.988100      0.6028000     -1.0000000E-03
 C   -5.882600       1.602500      6.9999998E-04
 C    6.351900      -1.762100      3.3000000E-03
 C   -6.906100     -0.9789000      7.9999998E-04
 C    7.375300      0.8192000      2.4999999E-03
 C   -7.266600       1.393400     -5.0000002E-04
 C    7.735800      -1.552900      7.3000002E-03
 C   -7.778200      0.1030000     -3.9999999E-04
 C    8.247400     -0.2627000      7.1999999E-03
 H   -1.168500       3.166100      6.5000001E-03
 H    1.637700      -3.325700     -4.1000000E-03
 H  -0.3638000      -3.568100     -5.2999998E-03
 H   0.8330000       3.408500      3.9999999E-04
 H   -3.493300       2.888000      8.2999999E-03
 H    3.964000      -3.046900     -4.1999999E-03
 H   -2.725600      -3.831100     -4.0000002E-03
 H    3.194900       3.671600     -1.7000000E-03
 H   -5.533200       2.631400      3.0000001E-04
 H    6.019900      -2.796300      4.1999999E-03
 H   -7.321700      -1.983000      5.0000002E-04
 H    7.791200       1.823200      2.3000001E-03
 H    8.410500      -2.404400      1.0700000E-02
 H   -8.849600     -7.7699997E-02 -1.3000000E-03
 H    9.320700     -9.9799998E-02  1.0300000E-02


%chk=000073990-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000073990

0 1
Br -8.482144 2.955780 0.000896
O -5.152648 -3.175234 -0.001834
O 5.618787 3.013426 0.001973
C -1.211286 -0.256283 0.000002
C 1.680393 0.094645 -0.000080
C -0.644861 1.070981 0.000698
C 1.113776 -1.232370 -0.000481
C -0.347749 -1.413583 -0.000668
C 0.817366 1.251884 0.000380
C -2.649701 -0.428010 0.000026
C 3.118690 0.266056 -0.000156
C -3.523480 0.720557 0.000774
C 3.994823 -0.880992 -0.000111
C -3.198728 -1.755933 -0.000719
C 3.667408 1.593592 -0.000028
C -1.533139 2.170678 0.001693
C 2.002978 -2.331315 -0.000663
C -0.940008 -2.701377 -0.001418
C 1.409278 2.539481 0.000455
C -4.988089 0.528520 0.000499
C 5.460257 -0.692011 0.000670
C -2.930668 2.000612 0.001715
C 3.400725 -2.160824 -0.000383
C -2.334602 -2.868242 -0.001460
C 2.804335 2.706282 0.000259
C -4.665072 -1.992377 -0.000579
C -5.540857 -0.791448 -0.000249
C 5.135975 1.829130 -0.000903
C 6.013925 0.628523 0.000796
C -5.891039 1.631603 0.000816
C 6.368711 -1.790345 0.001834
C -6.946165 -0.983459 -0.000612
C 7.419245 0.824108 0.002020
C -7.275371 1.409050 0.000456
C 7.760181 -1.587647 0.003005
C -7.830190 0.106728 -0.000251
C 8.295022 -0.273315 0.003081
H -1.145517 3.191910 0.002491
H 1.615682 -3.352840 -0.000859
H -0.313217 -3.596115 -0.001980
H 0.782730 3.434440 0.000530
H -3.553575 2.899040 0.002489
H 4.024891 -3.058182 -0.000327
H -2.787696 -3.864637 -0.002003
H 3.257744 3.702518 0.000138
H -5.522608 2.659256 0.001278
H 5.993899 -2.817709 0.001962
H -7.317680 -2.012923 -0.001155
H 7.786275 1.855252 0.001948
H 8.433231 -2.452009 0.003901
H -8.913158 -0.039792 -0.000507
H 9.378918 -0.119279 0.003939


