%chk=000030574.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030574

0 1
 Br  -1.387900      -5.078200     -0.3208000    
 O   -1.431900      -1.728100     -0.5246000    
 C    4.163400       1.105900      0.7507000    
 C    5.454900      0.5034000      0.1693000    
 C    4.000000       2.479800      6.8000004E-02
 C    6.208900       1.691000     -0.4093000    
 C    5.099200       2.552400     -0.9859000    
 C    2.974300      0.1839000      0.5979000    
 C   -3.234500     -0.1040000     -0.4250000    
 C    2.552900     -0.2055000     -0.6735000    
 C    2.298800     -0.2767000       1.728000    
 C   -4.135100      0.6549000      0.5723000    
 C   -2.143900     -0.8626000      0.3490000    
 C   0.7807000      -1.516200      0.3155000    
 C   -2.650300      0.7809000      -1.549000    
 C  -0.4089000      -2.436600      0.1621000    
 C   -5.346100       1.326500     -8.3400004E-02
 C    1.456100      -1.055600     -0.8146000    
 C    1.202000      -1.126600       1.586900    
 C   -6.223500       2.090700      0.9119000    
 C   -1.777600       1.935300      -1.076100    
 C  -3.8300000E-02  -3.696100     -0.6128000    
 C   -7.413200       2.781500      0.2635000    
 H    4.329000       1.292500       1.820900    
 H    6.041400     -1.1000000E-02  0.9382000    
 H    5.262000     -0.2261000     -0.6257000    
 H    3.010200       2.648500     -0.3686000    
 H    4.161700       3.270600      0.8115000    
 H    6.737200       2.230400      0.3857000    
 H    6.939700       1.390900      -1.165600    
 H    4.743100       2.128100      -1.932000    
 H    5.424100       3.579500      -1.174800    
 H   -3.854500     -0.8597000     -0.9280000    
 H   -3.547400       1.404800       1.115300    
 H   -4.503500     -5.0600000E-02   1.328400    
 H    3.060000      0.1481000      -1.566900    
 H    2.614500      1.7899999E-02   2.725200    
 H   -2.619300      -1.471100       1.128800    
 H   -1.470500     -0.1543000      0.8422000    
 H   -3.462300       1.180300      -2.166800    
 H   -2.053800      0.1542000      -2.223900    
 H  -0.7686000      -2.734500       1.156900    
 H   -5.011800       2.035500     -0.8483000    
 H   -5.951200      0.5670000     -0.5930000    
 H    1.136300      -1.340900      -1.813100    
 H   0.6852000      -1.476200       2.476600    
 H   -5.616300       2.844100       1.427800    
 H   -6.590100       1.398100       1.678700    
 H  -0.9069000       1.582700     -0.5165000    
 H   -2.337900       2.633300     -0.4479000    
 H   -1.406300       2.496300      -1.940200    
 H   0.9034000      -4.137800     -0.2734000    
 H  -1.0500000E-02  -3.539100      -1.695100    
 H   -8.004800       3.308800       1.018300    
 H   -8.063200       2.054300     -0.2330000    
 H   -7.082100       3.511600     -0.4818000    


%chk=000030574-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000030574

0 1
Br -1.550834 -5.126507 -0.124943
O -1.563698 -1.808040 -0.254872
C 4.431967 0.918082 0.578002
C 5.472896 0.567367 -0.525721
C 4.209332 2.454306 0.371911
C 6.451454 1.764625 -0.482524
C 5.536688 3.008359 -0.247926
C 3.164536 0.076040 0.554978
C -3.377336 -0.172729 -0.329347
C 2.317160 0.049654 -0.586490
C 2.792201 -0.711989 1.673304
C -4.208224 0.815938 0.534637
C -2.220302 -0.735796 0.515539
C 0.791568 -1.530747 0.509867
C -2.876660 0.427187 -1.674637
C -0.449422 -2.430995 0.460251
C -5.472649 1.365511 -0.163353
C 1.151855 -0.741338 -0.612023
C 1.622192 -1.504027 1.654360
C -6.338893 2.242115 0.770225
C -2.005926 1.698883 -1.550179
C -0.102658 -3.714202 -0.302119
C -7.598592 2.801810 0.074894
H 4.928988 0.771922 1.558819
H 5.961826 -0.407737 -0.351360
H 4.969592 0.515972 -1.511361
H 3.360555 2.618706 -0.317152
H 3.946040 2.948867 1.323748
H 7.149521 1.640715 0.367944
H 7.062667 1.852914 -1.398269
H 5.326766 3.521116 -1.204394
H 6.024011 3.747775 0.412209
H -4.030824 -1.034453 -0.582776
H -3.570762 1.665886 0.856090
H -4.518875 0.296694 1.466037
H 2.573060 0.653797 -1.465681
H 3.424806 -0.700798 2.569530
H -2.611918 -1.161473 1.465849
H -1.482524 0.055824 0.767136
H -3.753653 0.649684 -2.312984
H -2.302993 -0.360030 -2.199351
H -0.755786 -2.689405 1.498002
H -5.186282 1.962579 -1.052446
H -6.083063 0.517894 -0.539484
H 0.498224 -0.742843 -1.492137
H 1.353272 -2.100149 2.536044
H -5.723538 3.081192 1.155177
H -6.638150 1.645153 1.656018
H -1.091221 1.512760 -0.957742
H -2.556115 2.529434 -1.070409
H -1.686834 2.047325 -2.549967
H 0.806195 -4.188614 0.094952
H -0.011265 -3.522961 -1.382142
H -8.199048 3.424348 0.763589
H -8.245987 1.982767 -0.291375
H -7.326541 3.427830 -0.795948


