%chk=000030566.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030566

0 1
 Br  -1.610400      -4.618900     -0.3034000    
 O   -1.581500      -1.506200     -0.2865000    
 C  -0.4562000      -2.088900      0.3571000    
 C   -3.186300      0.2684000     -0.3844000    
 C   0.6840000      -1.097500      0.3022000    
 C    3.896900       1.695700      0.1476000    
 C   -3.680900       1.561500      0.2598000    
 C    2.772600      0.7176000      0.2019000    
 C   -1.981800     -0.3014000      0.3514000    
 C   -4.915700       2.104000     -0.4591000    
 C    1.204600     -0.7324000     -0.9277000    
 C    1.184300     -0.5755000       1.483100    
 C    2.256700      0.1820000     -0.9783000    
 C    2.236400      0.3390000       1.432500    
 C  -8.4899999E-02  -3.398700     -0.3289000    
 C    5.174800       1.091100     -0.4645000    
 C    3.518900       2.986800     -0.6029000    
 C   -5.431500       3.373400      0.2001000    
 H  -0.7295000      -2.307800       1.398500    
 H   -3.988400     -0.4803000     -0.3974000    
 H   -2.922500      0.4440000      -1.434900    
 H    4.155300       1.996200       1.172300    
 H   -2.882700       2.313400      0.2391000    
 H   -3.923100       1.376600       1.313500    
 H   -2.246300     -0.5077000       1.395500    
 H   -1.196800      0.4605000      0.3266000    
 H   -4.673600       2.314400      -1.507400    
 H   -5.711200       1.349800     -0.4548000    
 H   0.8070000      -1.126900      -1.857800    
 H   0.7744000     -0.8624000       2.447000    
 H    2.657000      0.4653000      -1.947900    
 H    2.626000      0.7468000       2.361400    
 H   0.7461000      -3.910100      0.1651000    
 H   0.1381000      -3.280100      -1.392900    
 H    6.004400       1.803700     -0.4021000    
 H    5.039200      0.8289000      -1.519400    
 H    5.470700      0.1825000      7.1699999E-02
 H    3.318000       2.800400      -1.663400    
 H    4.331800       3.718500     -0.5413000    
 H    2.622900       3.442200     -0.1666000    
 H   -5.714700       3.187800       1.241200    
 H   -4.670200       4.159800      0.1858000    
 H   -6.313500       3.744700     -0.3308000    


%chk=000030566-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000030566

0 1
Br -1.642124 -4.473891 0.351489
O -1.576542 -1.199616 -0.211373
C -0.457148 -1.757377 0.546911
C -3.413850 0.357173 -0.423758
C 0.808910 -0.896502 0.445588
C 4.523965 1.427367 0.098195
C -4.210143 1.544711 0.164749
C 3.227423 0.621212 0.215599
C -2.214788 -0.041669 0.440486
C -5.428950 1.929196 -0.704958
C 1.116996 -0.206392 -0.753995
C 1.714356 -0.815178 1.529507
C 2.306797 0.541747 -0.863572
C 2.907835 -0.067526 1.412773
C -0.168788 -3.137073 -0.055886
C 5.449384 0.860673 -1.011820
C 4.240169 2.935420 -0.136862
C -6.235056 3.110522 -0.123441
H -0.737198 -1.873580 1.617292
H -4.074637 -0.524293 -0.532925
H -3.052226 0.612633 -1.439100
H 5.062190 1.333863 1.063126
H -3.546029 2.427875 0.272257
H -4.559960 1.289993 1.187203
H -2.544043 -0.330444 1.463589
H -1.488724 0.795104 0.530501
H -5.080430 2.183409 -1.726643
H -6.089484 1.045192 -0.813057
H 0.405443 -0.251994 -1.586511
H 1.486519 -1.334193 2.469783
H 2.522011 1.070214 -1.800177
H 3.599208 -0.013144 2.262993
H 0.743612 -3.583123 0.365311
H -0.116214 -3.085377 -1.153978
H 6.398753 1.426413 -1.051291
H 4.970477 0.935678 -2.005802
H 5.686372 -0.203155 -0.830812
H 3.712708 3.095509 -1.095636
H 5.186005 3.507237 -0.172482
H 3.611038 3.354465 0.668926
H -6.623946 2.867865 0.883675
H -5.603584 4.014363 -0.029540
H -7.097907 3.366890 -0.765333


