%chk=000055482.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055482

0 1
 Br   10.02440      -1.766000       1.364000    
 O   -4.408700       2.573600      -1.032600    
 N   5.9900001E-02   1.487000     -0.5481000    
 N   -2.185500       2.014700     -0.7662000    
 N    6.934900      0.8655000      0.5289000    
 N   -1.454300      0.6487000       1.003700    
 N   -6.585200      -2.393200      0.7934000    
 C    3.735300      0.5652000     -0.1115000    
 C    2.482000       1.208700     -0.7188000    
 C    5.006800      0.8554000     -0.9178000    
 C    1.213200      0.8674000      5.9099998E-02
 C    6.237300      0.1657000     -0.3846000    
 C    6.567500      -1.092000     -0.8417000    
 C   -1.188200       1.353000     -6.1200000E-02
 C   -3.808300       1.184200      0.8007000    
 C   -5.220700       1.086100       1.275600    
 C   -3.522700       1.991400     -0.4152000    
 C    7.711500      -1.683100     -0.3170000    
 C    5.754100      -1.816000      -1.858100    
 C   -5.956900     -7.7900000E-02  0.6682000    
 C   -2.765700      0.5892000       1.399200    
 C    8.040500      0.2589000       1.016200    
 C    8.467600      -1.001500      0.6301000    
 C   -6.650400      7.5300001E-02 -0.5165000    
 C   -5.946500      -1.308100       1.285600    
 C   -7.320100      -1.018200      -1.054300    
 C   -7.257100      -2.219600     -0.3668000    
 C   -7.964700      -3.414200     -0.9145000    
 H    3.579500     -0.5178000     -3.8600001E-02
 H    3.866600      0.9258000      0.9168000    
 H    2.371000      0.8755000      -1.758700    
 H    2.612700       2.297700     -0.7522000    
 H    4.851900      0.6187000      -1.976400    
 H    5.188800       1.938800     -0.8988000    
 H    1.317200       1.212800       1.094400    
 H    1.079700     -0.2207000      8.0100000E-02
 H   0.2098000       2.047300      -1.382300    
 H   -5.240700      0.9896000       2.370200    
 H   -5.765800       2.018700       1.079800    
 H   -1.918900       2.548100      -1.588400    
 H    8.014700      -2.674000     -0.6467000    
 H    6.123100      -2.836500      -2.012200    
 H    5.804000      -1.307100      -2.826000    
 H    4.710100      -1.905800      -1.544200    
 H   -2.932900     -8.9999996E-03   2.290200    
 H    8.585800      0.8435000       1.751000    
 H   -6.687900       1.030100      -1.031600    
 H   -5.416000      -1.478100       2.216800    
 H   -7.872600     -0.9215000      -1.982900    
 H   -7.575800      -3.665300      -1.906400    
 H   -9.039100      -3.218800     -0.9899000    
 H   -7.824700      -4.285800     -0.2665000    


%chk=000055482-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000055482

0 1
Br 9.851398 -1.509708 -0.140798
O -4.621231 2.800726 0.208931
N 0.081573 3.002812 0.211180
N -2.288347 2.851710 0.254056
N 6.313824 0.360871 -1.472716
N -0.941932 1.162671 1.275250
N -5.556619 -2.904615 -0.318853
C 3.374148 0.994754 -0.249938
C 1.955551 1.506560 -0.580753
C 3.904519 0.001053 -1.321701
C 1.437514 2.491900 0.492046
C 5.316970 -0.460469 -1.014700
C 5.593897 -1.646860 -0.265844
C -1.048877 2.313403 0.589219
C -3.408824 0.984557 1.318467
C -4.669056 0.234134 1.719021
C -3.543207 2.231971 0.573934
C 6.952344 -1.958484 -0.006741
C 4.489735 -2.558738 0.234590
C -5.235175 -0.646702 0.606195
C -2.126150 0.538743 1.630311
C 7.614693 0.053250 -1.216133
C 7.962069 -1.101459 -0.485803
C -5.927965 -0.099855 -0.506528
C -5.088840 -2.054206 0.642379
C -6.420628 -0.963723 -1.504750
C -6.219191 -2.366196 -1.390341
C -6.733653 -3.332395 -2.438582
H 3.367532 0.505201 0.745464
H 4.082137 1.844416 -0.183307
H 1.250631 0.655494 -0.641007
H 1.961552 2.001087 -1.573435
H 3.214502 -0.859824 -1.395796
H 3.916652 0.510911 -2.301969
H 2.117354 3.360685 0.576910
H 1.400809 1.983967 1.470853
H -0.012944 3.826827 -0.382221
H -4.447600 -0.394693 2.601691
H -5.434172 0.974550 2.019073
H -2.373684 3.741974 -0.248841
H 7.211030 -2.857987 0.560593
H 4.897668 -3.370892 0.859967
H 3.941436 -3.025174 -0.605452
H 3.747400 -2.006718 0.839097
H -1.995153 -0.388921 2.200128
H 8.376154 0.737856 -1.603209
H -6.061684 0.985414 -0.576086
H -4.571934 -2.533985 1.484690
H -6.960945 -0.563517 -2.369829
H -6.356148 -3.075148 -3.445786
H -7.838961 -3.316851 -2.489487
H -6.409669 -4.353977 -2.186136


