%chk=000042452.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042452

0 1
 Br   5.758700     -0.3544000      -1.092600    
 O   0.2007000     -0.8023000       1.255000    
 O   -1.108300       3.235200     -0.8327000    
 O   -2.119400       2.608300       1.020800    
 N   -1.251700       2.489100      0.1453000    
 C  -0.8213000      0.1910000       1.002500    
 C  -0.3413000       1.403200      0.2745000    
 C   -1.912000     -0.5194000      0.2661000    
 C    1.818200      0.5025000     -3.5700001E-02
 C    1.439900     -0.6323000      0.6939000    
 C   0.8760000       1.598400     -0.2248000    
 C   -2.879900      -1.227700      0.9745000    
 C   -1.955700     -0.4703000      -1.125200    
 C    3.111500      0.5794000     -0.5665000    
 C    2.349000      -1.675300      0.8900000    
 C    4.014900     -0.4663000     -0.3715000    
 C    3.634200      -1.592100      0.3563000    
 C   -3.897100      -1.890600      0.2877000    
 C   -2.972800      -1.133100      -1.812100    
 C   -3.943400      -1.843300      -1.105500    
 H   -1.177000      0.4911000       1.996800    
 H    1.215700       2.496400     -0.7273000    
 H   -2.853600      -1.273500       2.059800    
 H   -1.207300      4.6700001E-02  -1.717700    
 H    3.413600       1.458600      -1.132500    
 H    2.061000      -2.557100       1.456500    
 H    4.327200      -2.413900      0.5178000    
 H   -4.652500      -2.444300      0.8376000    
 H   -3.005900      -1.101800      -2.897300    
 H   -4.734400      -2.360700      -1.640500    


%chk=000042452-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042452

0 1
Br 5.452554 -0.772704 -1.661165
O 0.233173 -0.492813 1.603126
O -0.857991 3.870158 -0.149810
O -2.368473 2.702481 1.117139
N -1.243841 2.803896 0.474582
C -0.925633 0.380576 1.143048
C -0.380408 1.624159 0.468722
C -1.876312 -0.443708 0.284588
C 1.717548 0.513812 -0.086853
C 1.374598 -0.549222 0.808611
C 0.840811 1.667609 -0.146762
C -2.924040 -1.154979 0.921099
C -1.717488 -0.552055 -1.119956
C 2.936824 0.441955 -0.816353
C 2.242645 -1.648246 0.982389
C 3.778439 -0.667106 -0.647852
C 3.445517 -1.711879 0.249605
C -3.796840 -1.969176 0.169122
C -2.588033 -1.369610 -1.873169
C -3.628423 -2.080184 -1.231300
H -1.417664 0.642383 2.092722
H 1.153467 2.585924 -0.655403
H -3.055954 -1.064191 2.005936
H -0.924112 0.006069 -1.629416
H 3.207571 1.253624 -1.498830
H 1.968171 -2.441564 1.682763
H 4.115827 -2.567109 0.373710
H -4.607742 -2.509712 0.669056
H -2.459955 -1.447787 -2.958290
H -4.307237 -2.709101 -1.817860