%chk=000004475.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004475

0 1
 Br  -2.836300      -3.471900      -1.481100    
 O    2.537400       2.689600      0.5972000    
 O   -2.445300       1.416300      0.4467000    
 O   -4.414300       2.055700       1.453500    
 N   0.9505000       2.500900      -1.834200    
 N    3.148200      -2.935300     -0.4242000    
 N   -6.027000      -1.687100      0.4695000    
 C    1.818500       1.488100      0.2899000    
 C    1.758600       1.384700      -1.294900    
 C   0.3977000       1.554400      0.8794000    
 C  -0.4251000       2.672100      0.2246000    
 C    1.339000     -3.4000002E-02  -1.842200    
 C    2.581000      0.3155000      0.8833000    
 C  -0.4166000       2.539400      -1.305700    
 C    2.644800     -0.8643000      0.1324000    
 C    2.101200      -1.108300      -1.144500    
 C   -1.857900       2.665600      0.7571000    
 C    3.292300      -2.001000      0.5786000    
 C   0.9529000       2.562800      -3.293100    
 C    3.193500      0.2854000       2.143500    
 C    2.424600      -2.404100      -1.472700    
 C    3.918800      -2.038200       1.824300    
 C    3.851200     -0.8680000       2.598000    
 C    3.844300       2.655100      5.1500000E-02
 C    3.669500      -4.284300     -0.3943000    
 C   -3.735700       1.237100      0.8528000    
 C   -4.232600     -0.1085000      0.4695000    
 C   -3.409400     -0.9765000     -0.2064000    
 C   -5.511300     -0.4792000      0.7896000    
 C   -3.904300      -2.228900     -0.5529000    
 C   -5.208100      -2.532800     -0.1952000    
 H    2.767000       1.519800      -1.703800    
 H   0.4508000       1.747300       1.959200    
 H  -0.1009000      0.5847000      0.7546000    
 H   2.3300000E-02   3.639100      0.4907000    
 H    1.530800     -9.7800002E-02  -2.919300    
 H   0.2695000     -0.2118000      -1.683500    
 H  -0.9811000       1.656200      -1.628100    
 H  -0.9394000       3.411100      -1.721000    
 H   -2.436200       3.474300      0.2946000    
 H   -1.854000       2.812500       1.843900    
 H   0.5082000       3.505200      -3.632300    
 H   0.3897000       1.743100      -3.751800    
 H    1.976300       2.545600      -3.683800    
 H    3.161900       1.161300       2.786900    
 H    2.204200      -2.992400      -2.353300    
 H    4.429100      -2.922900       2.187700    
 H    4.320100     -0.8571000       3.579500    
 H    3.854200       3.176000     -0.9119000    
 H    4.322200       1.677600     -5.3599998E-02
 H    4.482600       3.248000      0.7157000    
 H    4.756300      -4.231200     -0.2919000    
 H    3.225300      -4.806100      0.4571000    
 H    3.409200      -4.799600      -1.322300    
 H   -2.389700     -0.7218000     -0.4796000    
 H   -6.194700      0.1738000       1.321400    
 H   -5.654500      -3.492800     -0.4362000    


%chk=000004475-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004475

0 1
Br -3.334492 -3.684378 -1.503799
O 2.428373 2.713898 0.718367
O -2.499351 1.359682 0.429789
O -4.437942 2.143132 1.465395
N 1.017171 2.431979 -1.842655
N 3.292320 -3.060920 -0.440499
N -6.366738 -1.539651 0.504857
C 1.872537 1.414037 0.269152
C 1.816677 1.306014 -1.307586
C 0.434279 1.439925 0.843339
C -0.387193 2.587360 0.210860
C 1.349140 -0.111884 -1.828248
C 2.685038 0.260656 0.862235
C -0.368425 2.502661 -1.333160
C 2.744157 -0.932044 0.113658
C 2.157883 -1.200065 -1.169233
C -1.809976 2.652459 0.761409
C 3.445118 -2.091483 0.561718
C 1.116888 2.620862 -3.298800
C 3.352646 0.274402 2.102418
C 2.510858 -2.510713 -1.488154
C 4.113669 -2.084545 1.808771
C 4.052288 -0.886428 2.559465
C 3.714171 3.097637 0.136562
C 3.850680 -4.412674 -0.401525
C -3.819478 1.242364 0.847707
C -4.403487 -0.080860 0.467044
C -3.657869 -1.066994 -0.228270
C -5.750529 -0.362850 0.811260
C -4.301134 -2.277807 -0.541854
C -5.648522 -2.487783 -0.165589
H 2.853726 1.440082 -1.676210
H 0.505751 1.577406 1.938425
H -0.053771 0.464067 0.666962
H 0.113052 3.534539 0.492773
H 1.453616 -0.133561 -2.929376
H 0.269053 -0.242399 -1.611650
H -0.993947 1.636514 -1.667656
H -0.836224 3.413807 -1.755374
H -2.401106 3.472423 0.312717
H -1.824941 2.769160 1.860446
H 0.702980 3.609605 -3.570767
H 0.574059 1.853063 -3.904600
H 2.179696 2.601532 -3.602894
H 3.344385 1.184626 2.711653
H 2.277323 -3.112448 -2.365600
H 4.659555 -2.954561 2.189437
H 4.562027 -0.845660 3.529074
H 3.598487 3.406481 -0.921005
H 4.461878 2.282498 0.214399
H 4.055742 3.962448 0.728948
H 4.954152 -4.385572 -0.329214
H 3.455945 -4.981243 0.461261
H 3.577209 -4.949692 -1.323815
H -2.617935 -0.875536 -0.502182
H -6.344281 0.383067 1.348547
H -6.164887 -3.424237 -0.400032


