%chk=000088931.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088931

0 1
 Br   6.339400      -1.332100      9.9999997E-05
 O  -0.3678000     -5.2800000E-02 -3.9999999E-04
 N   0.1934000       2.112800      1.9999999E-04
 N   -1.186500       2.029200      6.9999998E-04
 C    1.966300      0.3580000      6.0000003E-04
 C   -2.734400      7.3299997E-02  5.0000002E-04
 C   0.6286000      0.8746000     -1.9999999E-04
 C   -1.461200      0.7515000       0.000000    
 C    2.189500      -1.023200      1.0000000E-03
 C    3.060400       1.230300     -5.0000002E-04
 C   -2.781400      -1.320800      3.9999999E-04
 C   -3.918300      0.8110000      1.9999999E-04
 C    3.490600      -1.526000      6.0000003E-04
 C    4.361500      0.7277000     -1.0000000E-03
 C   -4.012100      -1.977300     -3.9999999E-04
 C   -5.149100      0.1544000     -3.9999999E-04
 C    4.576700     -0.6507000     -6.0000003E-04
 C   -5.195800      -1.239700     -6.9999998E-04
 H    1.369400      -1.737200      1.6000000E-03
 H    2.917200       2.308500     -1.1000000E-03
 H   -1.881000      -1.929800      5.0000002E-04
 H   -3.905600       1.898200      9.9999997E-05
 H    3.641300      -2.602500      1.2000001E-03
 H    5.196900       1.423200     -1.7000000E-03
 H   -4.049000      -3.062800     -6.0000003E-04
 H   -6.071100      0.7284000     -6.9999998E-04
 H   -6.154000      -1.750900     -1.1000000E-03


%chk=000088931-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000088931

0 1
Br 6.640541 -1.118048 -0.000020
O -0.359373 -0.205166 -0.000066
N 0.228052 2.000662 0.000170
N -1.200384 1.916999 0.000224
C 2.078697 0.286714 0.000023
C -2.839814 -0.003634 -0.000115
C 0.696070 0.742493 0.000059
C -1.518989 0.611977 -0.000014
C 2.400766 -1.097031 0.000499
C 3.124519 1.250266 -0.000457
C -2.991446 -1.416763 0.000083
C -3.990472 0.832898 -0.000378
C 3.746965 -1.514941 0.000489
C 4.470956 0.839737 -0.000464
C -4.282575 -1.983844 -0.000002
C -5.275667 0.256633 -0.000459
C 4.769417 -0.541448 0.000004
C -5.427210 -1.151625 -0.000273
H 1.601021 -1.843859 0.000884
H 2.871234 2.314955 -0.000809
H -2.104043 -2.057731 0.000304
H -3.857923 1.919536 -0.000509
H 3.994137 -2.580370 0.000851
H 5.273757 1.582365 -0.000850
H -4.396532 -3.073212 0.000146
H -6.159249 0.903793 -0.000668
H -6.428559 -1.596054 -0.000352


