%chk=000027977.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027977

0 1
 Br  -4.510200     -0.3703000      3.9999999E-04
 O    3.742800     -8.6199999E-02  3.0000001E-04
 C   0.1072000      0.4995000     -3.0000001E-04
 C  -0.3608000     -0.8361000       0.000000    
 C    1.490300      0.7427000     -5.0000002E-04
 C    2.399100     -0.3159000     -3.9999999E-04
 C   0.5683000      -1.889400      9.9999997E-05
 C  -0.8220000       1.552800     -3.9999999E-04
 C   -1.743900      -1.079300      1.9999999E-04
 C    1.939100      -1.629400     -9.9999997E-05
 C    2.035100       2.139800      8.9999998E-04
 C   -2.192600       1.292600     -3.0000001E-04
 C   -2.652600     -2.0900000E-02   0.000000    
 H   0.2313000      -2.923900      3.9999999E-04
 H  -0.5121000       2.594500     -5.0000002E-04
 H   -2.109800      -2.104900      3.9999999E-04
 H    2.635700      -2.463500      1.9999999E-04
 H    1.703000       2.676600      0.8962000    
 H    3.128400       2.183800      9.9999997E-05
 H    1.702000       2.678700     -0.8928000    
 H   -2.888200       2.128000     -3.9999999E-04
 H    4.211600     -0.9384000      3.9999999E-04


%chk=000027977-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000027977

0 1
Br -4.615689 -0.380678 -0.000205
O 3.792833 -0.063712 0.000482
C 0.117361 0.507135 0.000165
C -0.377385 -0.857798 0.000022
C 1.534976 0.770580 0.000270
C 2.408440 -0.329539 0.000278
C 0.562303 -1.938601 0.000006
C -0.849997 1.569203 0.000219
C -1.789009 -1.108623 -0.000091
C 1.930026 -1.679784 0.000166
C 2.079031 2.185372 0.000403
C -2.223089 1.312153 0.000102
C -2.678540 -0.039079 -0.000057
H 0.194864 -2.970711 -0.000075
H -0.508694 2.608835 0.000356
H -2.150651 -2.141816 -0.000195
H 2.649394 -2.509731 0.000211
H 1.740219 2.747091 0.891659
H 3.178749 2.174555 -0.000054
H 1.739435 2.747574 -0.890234
H -2.945342 2.133412 0.000137
H 4.312465 -0.905038 0.000335


