%chk=000077655.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077655

0 1
 Br   6.009500       1.123900      0.1487000    
 O   0.2784000      -2.586600     -0.1644000    
 O    3.434900       2.052300       1.603400    
 O    5.014900      -1.380300      -1.380600    
 N   -2.599000       1.462200     -0.4782000    
 N  -0.6737000     -0.4878000      0.2758000    
 C   -2.991000      0.1790000     -3.4499999E-02
 C   -3.029200       2.645900      0.2362000    
 C   -1.751500       1.605500      -1.643600    
 C   -2.059100     -0.7771000      0.3353000    
 C   -4.349700     -0.1295000      3.1099999E-02
 C   -2.033300       2.988100       1.327500    
 C   -2.599400       1.700100      -2.897400    
 C   -2.449800      -2.034200      0.7692000    
 C   -4.758300      -1.390400      0.4657000    
 C   -3.808400      -2.342800      0.8347000    
 C   0.3922000      -1.366900      3.8500000E-02
 C    1.720500     -0.7757000      6.4000003E-02
 C    2.754400      -1.354000     -0.6724000    
 C    1.961600      0.3680000      0.8252000    
 C    3.236500      0.9335000      0.8499000    
 C    4.029200     -0.7885000     -0.6477000    
 C    4.270300      0.3551000      0.1136000    
 H   -3.109200       3.495000     -0.4534000    
 H   -4.024900       2.519500      0.6766000    
 H   -1.137500       2.510000      -1.556400    
 H   -1.052100      0.7769000      -1.783500    
 H   -5.104500      0.5951000     -0.2633000    
 H   -1.958200       2.180900       2.063800    
 H   -1.032800       3.157800      0.9159000    
 H   -2.342700       3.897100       1.852800    
 H   -3.190800      0.7905000      -3.046600    
 H   -3.293600       2.545400      -2.845800    
 H   -1.963200       1.837900      -3.777500    
 H   -1.743100      -2.788400       1.098200    
 H  -0.4665000      0.5067000      0.2435000    
 H   -5.816200      -1.631100      0.5159000    
 H   -4.127500      -3.321900       1.180200    
 H    2.570600      -2.242700      -1.272000    
 H    1.187900      0.8276000       1.434900    
 H    4.366300       2.318400       1.513700    
 H    4.652900      -2.158500      -1.837800    


%chk=000077655-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000077655

0 1
Br 6.213468 1.023803 0.360944
O 0.420828 -2.822794 -0.174668
O 3.397201 2.381231 0.899116
O 5.421821 -1.861058 -0.382159
N -2.270637 1.366207 -0.143038
N -0.609003 -0.727480 0.017065
C -2.876174 0.052622 -0.006428
C -2.867815 2.438973 0.702512
C -1.987505 1.750270 -1.569141
C -1.981269 -1.069197 0.025898
C -4.264420 -0.172097 0.120569
C -1.923900 3.641802 0.883149
C -3.228509 2.132598 -2.409714
C -2.488961 -2.389076 0.114693
C -4.771600 -1.487351 0.238978
C -3.883693 -2.586906 0.217292
C 0.495985 -1.558855 -0.030621
C 1.837543 -0.868750 0.079288
C 2.971628 -1.668225 -0.196685
C 2.001375 0.487357 0.447028
C 3.298622 1.041618 0.527364
C 4.268444 -1.120002 -0.118383
C 4.431343 0.238774 0.240430
H -3.842960 2.797678 0.299719
H -3.077113 1.986573 1.688483
H -1.264694 2.586787 -1.562497
H -1.478077 0.890700 -2.042613
H -4.951850 0.681042 0.116896
H -0.943991 3.314474 1.274844
H -1.754026 4.186608 -0.062723
H -2.362816 4.357053 1.602355
H -3.962508 1.307718 -2.427973
H -3.727835 3.038184 -2.020326
H -2.923724 2.341525 -3.451592
H -1.789132 -3.226916 0.114731
H -0.501079 0.297269 0.095716
H -5.850782 -1.650405 0.331938
H -4.274391 -3.607779 0.290405
H 2.802730 -2.719087 -0.461155
H 1.169060 1.147316 0.709115
H 4.352382 2.658701 0.934739
H 5.190933 -2.794903 -0.614356


