%chk=000044407.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044407

0 1
 Br  -1.522700      -3.160000      0.6859000    
 O   0.7253000      -1.375700      0.5694000    
 O    3.596300       2.490900      0.1139000    
 N    4.112600     -0.8707000     -0.5712000    
 C    2.299600      0.4938000      0.3677000    
 C    1.022800     -6.4499997E-02  0.3466000    
 C  -0.1395000      0.6557000      9.0400003E-02
 C    3.521600     -0.3133000      0.6468000    
 C   -1.200600     -0.2847000      0.1648000    
 C    2.382200       1.865700      0.1116000    
 C  -3.2800000E-02   2.034200     -0.1645000    
 C  -0.6230000      -1.498600      0.4571000    
 C   -2.609600     -7.6899998E-02 -1.7200001E-02
 C    1.238400       2.624400     -0.1500000    
 C    3.155200      -1.743300      -1.248700    
 C    5.337800      -1.602500     -0.2544000    
 C   -3.175400     -0.2035000      -1.286100    
 C   -3.413500      0.2515000       1.074600    
 C   -4.544400     -1.8000000E-03  -1.463100    
 C   -4.782300      0.4530000      0.8978000    
 C   -5.347700      0.3264000     -0.3712000    
 H    4.257700      0.3127000       1.167900    
 H    3.272700      -1.113200       1.358800    
 H  -0.9115000       2.638300     -0.3696000    
 H    1.318700       3.691000     -0.3475000    
 H    2.766900      -2.533700     -0.5965000    
 H    3.641600      -2.239600      -2.098100    
 H    2.327600      -1.185800      -1.697100    
 H    5.810200      -1.978100      -1.169000    
 H    5.152500      -2.452800      0.4120000    
 H    6.068900     -0.9416000      0.2245000    
 H   -2.563400     -0.4587000      -2.148100    
 H   -2.988900      0.3544000       2.070400    
 H    3.468800       3.435200     -8.1000000E-02
 H   -4.984700     -0.1004000      -2.451000    
 H   -5.408100      0.7086000       1.747900    
 H   -6.413500      0.4833000     -0.5088000    


%chk=000044407-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044407

0 1
Br -1.446303 -3.142462 1.381649
O 0.672651 -1.376754 0.884271
O 3.624932 2.335979 -0.295600
N 4.211623 -0.967779 -0.513927
C 2.289750 0.423509 0.274353
C 0.987675 -0.089011 0.379556
C -0.212307 0.590312 0.025804
C 3.533699 -0.353645 0.659989
C -1.332836 -0.313728 0.318023
C 2.347378 1.756157 -0.214283
C -0.105664 1.915926 -0.458839
C -0.739719 -1.456025 0.831953
C -2.767357 -0.034902 0.098377
C 1.176904 2.486884 -0.572306
C 3.425005 -2.049713 -1.138121
C 5.586469 -1.390587 -0.183841
C -3.190032 0.618056 -1.093253
C -3.750502 -0.392459 1.061086
C -4.554725 0.897348 -1.318034
C -5.115275 -0.114889 0.833518
C -5.524589 0.531907 -0.355798
H 4.252404 0.347433 1.119605
H 3.262251 -1.121867 1.426723
H -0.994292 2.496849 -0.721092
H 1.278220 3.517891 -0.935466
H 3.238136 -2.913501 -0.450045
H 3.961149 -2.424009 -2.028527
H 2.446139 -1.662627 -1.467535
H 6.082904 -1.771723 -1.094298
H 5.633780 -2.195568 0.594796
H 6.163700 -0.523076 0.182814
H -2.449116 0.875034 -1.858398
H -3.442173 -0.874428 1.994611
H 3.570575 3.252029 -0.664308
H -4.861892 1.391935 -2.246293
H -5.858328 -0.396691 1.587859
H -6.584433 0.747891 -0.530021


