%chk=000063897.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063897

0 1
 Br   2.851400       3.288300     -0.9477000    
 Br   6.345800     -0.8258000      0.7628000    
 O    1.283700      -2.756600      0.6840000    
 N   -1.736200       2.123600     -0.4859000    
 N  -0.1741000      -1.073400     -8.4500000E-02
 N   0.7236000       1.060700     -0.6329000    
 C   -1.702300       2.086800      0.9828000    
 C   -2.966200       2.763700     -0.9730000    
 C   -1.783500       3.495800       1.572300    
 C   -3.088800       4.194700     -0.4476000    
 C   -3.020800       4.234400       1.074900    
 C   -1.610100      0.7737000      -1.034700    
 C  -0.2790000      0.2416000     -0.5443000    
 C   -1.327100      -1.909100      0.1093000    
 C    1.080600      -1.623700      0.2534000    
 C    2.232100     -0.7060000      0.1266000    
 C    2.000100      0.6054000     -0.2880000    
 C   -1.777100      -2.739400     -0.9107000    
 C   -1.983200      -1.872000       1.334600    
 C    3.526200      -1.137600      0.4411000    
 C    3.083100       1.486800     -0.3860000    
 C   -2.898000      -3.543200     -0.7030000    
 C   -1.086300      -2.793800      -2.234800    
 C    4.596200     -0.2498000      0.3388000    
 C    4.375300       1.062200     -7.3500000E-02
 C   -3.104000      -2.675800       1.542300    
 C   -3.561500      -3.511500      0.5235000    
 H  -0.7827000       1.644900       1.379500    
 H   -2.535100       1.484700       1.371100    
 H   -3.851600       2.186000     -0.6762000    
 H   -2.954800       2.801900      -2.069100    
 H   -1.804500       3.439200       2.666600    
 H  -0.8838000       4.061400       1.298000    
 H   -2.281600       4.809700     -0.8654000    
 H   -4.033700       4.634100     -0.7869000    
 H   -3.920000       3.766100       1.493700    
 H   -3.005300       5.272600       1.424100    
 H   -2.460800      0.1483000     -0.7568000    
 H   -1.557800      0.8112000      -2.129500    
 H   -1.635200      -1.223800       2.134400    
 H    3.702900      -2.159700      0.7671000    
 H   -3.268100      -4.200100      -1.485800    
 H   -1.578300      -3.491600      -2.921400    
 H   -1.092600      -1.810300      -2.715200    
 H  -5.2099999E-02  -3.132500      -2.115700    
 H   -3.620800      -2.650600       2.497200    
 H    5.211800       1.753400     -0.1523000    
 H   -4.434300      -4.137100      0.6854000    


%chk=000063897-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063897

0 1
Br 3.249952 3.114983 -1.479894
Br 6.520344 -1.114333 0.725344
O 1.182325 -2.758139 0.764999
N -1.816930 2.163607 -0.361172
N -0.089865 -0.961311 -0.068440
N 0.943718 1.063096 -0.863884
C -2.050432 1.980069 1.091558
C -2.931084 2.887846 -1.022604
C -2.235088 3.341441 1.791325
C -3.140064 4.274741 -0.381729
C -3.384164 4.143901 1.139168
C -1.485803 0.907167 -1.068322
C -0.137301 0.331825 -0.641883
C -1.290966 -1.770056 0.148639
C 1.155663 -1.584667 0.298508
C 2.348262 -0.740129 0.082361
C 2.191971 0.561866 -0.497617
C -1.721767 -2.665018 -0.866662
C -1.956153 -1.677377 1.387943
C 3.619592 -1.249583 0.446953
C 3.377902 1.336801 -0.697929
C -2.878382 -3.440248 -0.603777
C -0.959613 -2.805088 -2.169142
C 4.746346 -0.449429 0.232565
C 4.642701 0.845762 -0.339181
C -3.102331 -2.463750 1.630062
C -3.567151 -3.343350 0.626382
H -1.174862 1.458077 1.522403
H -2.952685 1.338291 1.280751
H -3.891134 2.307248 -0.959362
H -2.682543 2.999796 -2.094951
H -2.434337 3.176398 2.867841
H -1.290504 3.911744 1.706054
H -2.234591 4.885439 -0.560416
H -3.992580 4.781056 -0.874045
H -4.346706 3.619454 1.314766
H -3.471488 5.143388 1.605076
H -2.280295 0.131673 -0.961111
H -1.396321 1.149932 -2.143915
H -1.567952 -1.003048 2.158070
H 3.678909 -2.250354 0.883073
H -3.234346 -4.135969 -1.372513
H -1.480918 -3.487666 -2.860410
H -0.829216 -1.834584 -2.683380
H 0.051414 -3.214513 -1.986072
H -3.620239 -2.394730 2.592187
H 5.535795 1.454768 -0.498559
H -4.455584 -3.959231 0.803542


