%chk=000063899.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063899

0 1
 Br   5.209700       2.263700     -0.2797000    
 O  -7.4500002E-02   1.787600      0.9067000    
 N  -0.7170000     -0.4388000      0.5723000    
 N   -4.308900      0.4808000      0.1419000    
 N   0.8863000      -2.032100     -0.1661000    
 C   -2.098400     -0.1682000      0.9682000    
 C   -2.926700      0.2281000     -0.2503000    
 C  -0.3190000      -1.720000      0.1954000    
 C   0.1898000      0.6320000      0.5869000    
 C    1.569600      0.2948000      0.1765000    
 C    1.859000      -1.024100     -0.1823000    
 C   -5.111600      0.8707000      -1.008400    
 C   -1.354800      -2.819400      0.2061000    
 C    2.564300       1.278900      0.1493000    
 C    3.163900      -1.348100     -0.5707000    
 C    3.859700      0.9414000     -0.2399000    
 C    4.159900     -0.3706000     -0.5995000    
 C   -6.551200       1.143300     -0.6064000    
 H   -2.532900      -1.036200       1.472600    
 H   -2.105000      0.6503000       1.698900    
 H   -2.496500       1.133700     -0.6962000    
 H   -2.886400     -0.5532000      -1.017000    
 H   -4.704300     -0.3556000      0.5708000    
 H   -4.700800       1.778800      -1.465100    
 H   -5.101700      8.0100000E-02  -1.768000    
 H   -2.233800      -2.550800     -0.3809000    
 H   -1.652900      -3.035600       1.236000    
 H  -0.9319000      -3.734700     -0.2206000    
 H    2.333900       2.303900      0.4294000    
 H    3.413000      -2.368000     -0.8542000    
 H    5.164800     -0.6505000     -0.9052000    
 H   -7.018200      0.2507000     -0.1765000    
 H   -6.609200       1.950000      0.1321000    
 H   -7.138000       1.443100      -1.480600    


%chk=000063899-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000063899

0 1
Br 5.204778 2.395970 -0.398313
O -0.268124 1.779085 0.691493
N -0.707941 -0.525154 0.541681
N -4.356713 0.350554 -0.019393
N 0.994491 -2.126466 -0.052292
C -2.128481 -0.222886 0.866641
C -2.945757 0.157441 -0.392109
C -0.260996 -1.833592 0.268781
C 0.169192 0.610189 0.471619
C 1.564211 0.281113 0.131911
C 1.926620 -1.078812 -0.122180
C -5.180943 1.100064 -0.995610
C -1.251941 -2.971941 0.357507
C 2.530478 1.317924 0.051190
C 3.276368 -1.380826 -0.458812
C 3.848216 0.983808 -0.280358
C 4.235371 -0.359606 -0.537985
C -6.626828 1.242799 -0.490612
H -2.575147 -1.093722 1.373266
H -2.141103 0.633071 1.559135
H -2.554574 1.114073 -0.782518
H -2.788288 -0.610861 -1.191216
H -4.811628 -0.531395 0.256352
H -4.728966 2.103281 -1.117535
H -5.186205 0.625167 -2.008793
H -2.142309 -2.801279 -0.273699
H -1.598595 -3.133616 1.395414
H -0.739916 -3.882926 0.017052
H 2.215952 2.346450 0.249914
H 3.542387 -2.423968 -0.651784
H 5.272616 -0.591680 -0.795796
H -7.110130 0.253368 -0.373557
H -6.642254 1.750847 0.489285
H -7.233641 1.829528 -1.203180


