%chk=000038404.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038404

0 1
 Br   4.622400      -4.263800     -0.9301000    
 Br   5.875300       3.230800      0.7411000    
 O  -0.1115000       2.309400      -1.141300    
 O   -4.690100      -2.109700       2.072000    
 O   -2.985100      -2.431700      0.6037000    
 N    3.757200     -0.3019000      1.5699999E-02
 N   -1.760600      0.5953000      0.3449000    
 N   -2.347700     -7.8999996E-03 -0.5833000    
 C    4.305900      -1.635500      9.3999997E-02
 C    4.676000      0.8230000     -0.1651000    
 C    2.376600     -7.4299999E-02  9.5700003E-02
 C    3.807700      -2.483500      -1.071400    
 C    4.591400       1.773100       1.024700    
 C    1.800700       1.015400     -0.5672000    
 C    1.561000     -0.9347000      0.8391000    
 C    4.162300      -1.905300      -2.434300    
 C    4.915300       1.106600       2.354500    
 C   0.4265000       1.241700     -0.4872000    
 C   0.1871000     -0.7084000      0.9190000    
 C  -0.3802000      0.3796000      0.2557000    
 C  -0.1887000       3.538000     -0.4215000    
 C   -3.733600      0.2081000     -0.4941000    
 C   -4.541600     -0.6502000      0.2473000    
 C   -4.289700       1.297300      -1.160300    
 C   -5.915000     -0.4176000      0.3230000    
 C   -5.663000       1.529900      -1.084400    
 C   -6.475500      0.6725000     -0.3429000    
 C   -3.983400      -1.796300      0.9528000    
 H    4.068200      -2.102700       1.057500    
 H    5.403500      -1.603800      7.4100003E-02
 H    5.707300      0.4579000     -0.2622000    
 H    4.482500       1.339900      -1.112700    
 H    2.731600      -2.672300      -1.017900    
 H    3.622100       2.275700       1.089700    
 H    2.391600       1.697400      -1.171200    
 H    1.963000      -1.783100       1.384500    
 H    3.652900     -0.9530000      -2.611600    
 H    3.864100      -2.585100      -3.240500    
 H    5.240700      -1.734800      -2.530000    
 H    4.171500      0.3470000       2.614400    
 H    4.926900       1.838700       3.169900    
 H    5.898600      0.6232000       2.332500    
 H  -0.4310000      -1.382000       1.506600    
 H  -0.6448000       4.288300      -1.072900    
 H  -0.8120000       3.424700      0.4711000    
 H   0.8122000       3.880600     -0.1398000    
 H   -3.664700       1.970700      -1.741100    
 H   -6.577200      -1.074300      0.8812000    
 H   -6.099600       2.378200      -1.603500    
 H   -7.545200      0.8521000     -0.2867000    
 H   -4.307500      -2.881600       2.541200    


%chk=000038404-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000038404

0 1
Br 4.953029 -3.892025 -2.267481
Br 5.982834 2.740590 1.831229
O 0.112263 2.651246 0.437025
O -4.609576 2.430139 1.946162
O -3.229652 0.647405 2.483252
N 3.791181 -0.353991 -0.154038
N -1.857251 0.461444 -0.076232
N -2.587645 -0.572820 -0.431467
C 4.369828 -1.672338 -0.486287
C 4.716404 0.764425 0.120893
C 2.397910 -0.161365 -0.116572
C 4.323319 -1.951421 -2.010109
C 4.856039 1.031686 1.641393
C 1.836352 1.115010 0.142814
C 1.492165 -1.262776 -0.325921
C 5.187374 -1.024130 -2.865482
C 5.514327 -0.095722 2.437527
C 0.437104 1.326867 0.182221
C 0.118265 -1.056112 -0.288907
C -0.465502 0.230683 -0.056293
C -1.237041 3.077629 0.857201
C -3.991585 -0.359568 -0.390696
C -4.694589 0.521376 0.499193
C -4.730452 -1.105366 -1.349640
C -6.094870 0.689883 0.332881
C -6.120520 -0.937814 -1.488211
C -6.806690 -0.022284 -0.653908
C -4.063750 1.149683 1.693500
H 3.847204 -2.479047 0.057620
H 5.421220 -1.693401 -0.152640
H 5.710223 0.517053 -0.289622
H 4.377228 1.682916 -0.390671
H 3.283115 -1.982177 -2.372248
H 3.889343 1.325901 2.080407
H 2.451875 1.997011 0.333354
H 1.868290 -2.272913 -0.507669
H 4.829088 0.017491 -2.752193
H 5.117327 -1.292017 -3.932438
H 6.249089 -1.069993 -2.565658
H 4.890752 -1.007775 2.363475
H 5.598508 0.170703 3.503784
H 6.525399 -0.322886 2.055828
H -0.574796 -1.886682 -0.454066
H -1.098087 4.127222 1.161018
H -1.956292 2.992093 0.028633
H -1.586232 2.459383 1.701462
H -4.172063 -1.790284 -1.995480
H -6.620839 1.373347 1.005995
H -6.666530 -1.511275 -2.244960
H -7.887341 0.119988 -0.757122
H -4.241352 2.756608 2.811843


