%chk=000170916.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170916

0 1
 Br  -8.854200      0.5042000     -0.3229000    
 O    4.196100      0.7592000      -1.136300    
 O    2.716500     -0.6012000      0.1259000    
 C    5.060600      -1.174400      6.7000002E-02
 C    3.883100     -0.5626000     -0.6909000    
 C    5.521200     -0.2672000       1.204600    
 C    5.755500       1.148000      0.6913000    
 C  -0.9849000     -0.3493000     -0.5297000    
 C   -2.200900     -0.3040000      0.3972000    
 C   0.3135000     -0.4803000      0.2635000    
 C    4.539600       1.649300     -7.4800000E-02
 C   -3.499400     -0.1388000     -0.3958000    
 C    1.531900     -0.4824000     -0.6503000    
 C   -4.710400     -5.5300001E-02  0.5362000    
 C   -6.039300      9.7099997E-02 -0.2087000    
 C   -7.228900      0.2576000      0.7238000    
 H    4.790100      -2.156100      0.4712000    
 H    5.900300      -1.311200     -0.6255000    
 H    3.717000      -1.175800      -1.585300    
 H    4.760700     -0.2498000       1.994700    
 H    6.440000     -0.6624000       1.651700    
 H    6.623800       1.138500      2.0900000E-02
 H    5.986600       1.821700       1.522800    
 H   -1.080800      -1.194100      -1.222500    
 H  -0.9531000      0.5642000      -1.136000    
 H   -2.246100      -1.224800      0.9911000    
 H   -2.093600      0.5302000       1.101200    
 H   0.3041000      -1.400800      0.8602000    
 H   0.4050000      0.3429000      0.9830000    
 H    4.758700       2.625400     -0.5193000    
 H    3.677200       1.779900      0.5890000    
 H   -3.622200     -0.9848000      -1.082700    
 H   -3.446600      0.7701000      -1.007200    
 H    1.561900      0.4487000      -1.228400    
 H    1.466900      -1.326100      -1.347700    
 H   -4.752700     -0.9560000       1.161100    
 H   -4.581700      0.7962000       1.216200    
 H   -6.189700     -0.7758000     -0.8567000    
 H   -5.974600      0.9679000     -0.8738000    
 H   -7.384000     -0.6288000       1.344500    
 H   -7.132200       1.140100       1.361800    


%chk=000170916-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000170916

0 1
Br -9.003784 0.578962 -0.197009
O 4.267431 0.615275 -1.258534
O 2.789220 -0.796948 0.044414
C 5.159661 -1.197701 0.205424
C 4.029128 -0.730710 -0.723799
C 5.426260 -0.165321 1.326540
C 5.675413 1.233009 0.711376
C -0.956191 -0.321763 -0.569866
C -2.179682 -0.319484 0.374084
C 0.375701 -0.566027 0.175908
C 4.494478 1.624269 -0.194055
C -3.512776 -0.062494 -0.363522
C 1.581034 -0.548240 -0.767869
C -4.735840 -0.055852 0.582715
C -6.062997 0.214295 -0.174004
C -7.253230 0.217998 0.785816
H 4.888591 -2.182754 0.625523
H 6.070844 -1.325886 -0.409662
H 3.947937 -1.351471 -1.639248
H 4.546419 -0.123069 1.996294
H 6.292789 -0.482415 1.935910
H 6.606952 1.220405 0.112035
H 5.798222 1.996322 1.504446
H -1.095744 -1.101495 -1.347565
H -0.907916 0.648598 -1.106911
H -2.234150 -1.292087 0.905944
H -2.036447 0.455372 1.155762
H 0.343683 -1.540984 0.700127
H 0.520831 0.209686 0.953115
H 4.681640 2.561393 -0.743692
H 3.569147 1.730855 0.408739
H -3.657410 -0.837853 -1.144056
H -3.456310 0.909613 -0.895695
H 1.674633 0.428751 -1.283729
H 1.490500 -1.341794 -1.543005
H -4.797354 -1.030883 1.108881
H -4.588363 0.716627 1.365661
H -6.213053 -0.558975 -0.951072
H -6.002162 1.188252 -0.695540
H -7.410307 -0.755769 1.275808
H -7.191799 1.019491 1.538708


