%chk=000125252.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125252

0 1
 Br  -6.300400       3.739000     -0.7134000    
 O   -1.093100      -4.223700     -0.3681000    
 O   0.8771000      -2.290200     -0.7021000    
 O   -5.595400      0.7309000      -1.362400    
 N   -1.806000     -0.9146000       1.121200    
 N   -5.212700      0.5361000      0.9216000    
 N    4.790200       1.557500     -0.8002000    
 N    7.577300       2.557700       1.129600    
 C   -2.758800      0.1383000      0.7390000    
 C   -4.175100     -0.4577000      0.8469000    
 C   -1.914500      -2.047600      0.2200000    
 C   -2.572100       1.314500       1.707300    
 C   -2.446500      0.5848000     -0.6968000    
 C  -0.9445000      -3.172100      0.5901000    
 C   0.5172000      -2.729700      0.6040000    
 C   -5.843300       1.053200     -0.2018000    
 C    1.828400      -1.308500     -0.7804000    
 C    3.788500     -0.2089000      0.1236000    
 C    3.740400      0.6800000     -0.9524000    
 C    2.813400      -1.222200      0.2101000    
 C    1.805000     -0.4076000      -1.843100    
 C    2.762000      0.6057000      -1.950200    
 C   -6.879900       2.092400      0.1295000    
 C    4.902700      0.1659000      0.9254000    
 C    5.498200       1.255100      0.3318000    
 C    6.642000       1.971700      0.7707000    
 H   -4.281000      -1.049500       1.765000    
 H   -4.416300      -1.111000      8.9999998E-04
 H   -1.979700      -1.216200       2.079700    
 H   -1.707300      -1.779600     -0.8210000    
 H   -2.909300      -2.505000      0.2285000    
 H   -1.533300       1.666800       1.702700    
 H   -3.199200       2.171000       1.435700    
 H   -2.819800       1.030000       2.736700    
 H   -2.942200       1.538000     -0.9172000    
 H   -1.372700      0.7550000     -0.8420000    
 H   -2.792300     -0.1207000      -1.459500    
 H   -1.207800      -3.584900       1.570700    
 H   0.6441000      -1.951100       1.365700    
 H    1.152400      -3.587500      0.8553000    
 H   -5.481700      0.8688000       1.842900    
 H  -0.8052000      -3.881500      -1.231800    
 H    2.877100      -1.927400       1.032500    
 H    1.031900     -0.4872000      -2.603900    
 H    2.742700       1.307000      -2.777600    
 H   -6.974700       2.286000       1.199500    
 H   -7.846600       1.811600     -0.2936000    
 H    5.228400     -0.3149000       1.838600    
 H    5.003400       2.314400      -1.435500    


%chk=000125252-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125252

0 1
Br -6.911731 3.462404 0.922874
O -0.735997 -4.307564 -0.450215
O 0.615937 -1.873573 -0.621833
O -4.931558 0.867624 -1.765629
N -2.372830 -1.581171 1.586104
N -5.215703 0.791124 0.556340
N 4.969238 1.483676 -1.569575
N 7.788550 2.848507 0.144333
C -3.041704 -0.255619 1.431632
C -4.452741 -0.449274 0.762948
C -2.120354 -2.426296 0.398152
C -3.204188 0.326119 2.856678
C -2.166622 0.693394 0.579718
C -0.858484 -3.301717 0.613768
C 0.419617 -2.462593 0.719334
C -5.392687 1.348882 -0.681507
C 1.727243 -1.034546 -0.819313
C 3.746548 0.142971 -0.172622
C 3.835133 0.672949 -1.509352
C 2.672285 -0.725542 0.175140
C 1.827562 -0.499188 -2.144172
C 2.878333 0.356278 -2.502647
C -6.207654 2.638414 -0.809569
C 4.866208 0.663362 0.566714
C 5.600487 1.481546 -0.309325
C 6.787725 2.224180 -0.066735
H -5.050577 -1.134916 1.396662
H -4.327108 -0.913416 -0.230952
H -2.784591 -2.118052 2.361367
H -1.947206 -1.778004 -0.477871
H -2.955908 -3.113326 0.142032
H -2.214727 0.422426 3.336247
H -3.669560 1.327845 2.831372
H -3.831992 -0.330530 3.491706
H -2.622804 1.697780 0.534080
H -1.163265 0.782437 1.031488
H -2.052672 0.336841 -0.458421
H -0.970980 -3.887693 1.544795
H 0.283907 -1.663946 1.473576
H 1.288995 -3.101236 0.970191
H -5.637386 1.262342 1.361519
H -0.385100 -3.840098 -1.253166
H 2.598119 -1.130448 1.187530
H 1.056767 -0.776358 -2.869560
H 2.943957 0.759579 -3.518228
H -7.100581 2.451166 -1.424638
H -5.589347 3.421344 -1.272814
H 5.121263 0.475471 1.607566
H 5.299183 1.998544 -2.383519


