%chk=000157029.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157029

0 1
 Br   4.748700      0.4516000      0.8370000    
 O   -1.287700       1.094300     -0.4605000    
 O   -4.316100      0.5006000      0.1623000    
 C   0.5771000     -0.5696000      4.1000001E-02
 C    2.155100     -0.7873000      0.1278000    
 C   0.1251000      0.8072000     -0.5848000    
 C    2.780200      0.4873000      0.7778000    
 C   0.8580000       1.965900      0.1143000    
 C    2.370500       1.803200      0.1220000    
 C  -0.2069000      -1.779700     -0.5389000    
 C    2.434700      -1.996500       1.069000    
 C    2.792500      -1.134300      -1.234600    
 C   0.3361000      0.9057000      -2.106700    
 C   -1.983700      0.5162000      0.6302000    
 C   -1.696200      -1.807200     -0.3168000    
 C   -2.450200     -0.8428000      0.2277000    
 C   -3.301000       1.260300      0.8362000    
 C   -3.936200     -0.8749000      0.2972000    
 H   0.2832000     -0.5313000       1.099900    
 H    2.496500      0.5272000       1.837600    
 H   0.5011000       2.052700       1.149300    
 H   0.5921000       2.921400     -0.3567000    
 H    2.767300       1.878100     -0.8967000    
 H    2.805000       2.647200      0.6733000    
 H   0.1660000      -2.707100     -9.4899997E-02
 H  -2.8600000E-02  -1.868300      -1.615500    
 H    2.103900      -2.942700      0.6302000    
 H    3.502600      -2.120800       1.274600    
 H    1.929100      -1.874700       2.033400    
 H    2.958100     -0.2576000      -1.861400    
 H    3.775200      -1.604100      -1.106500    
 H    2.189900      -1.850000      -1.800300    
 H  -7.5800002E-02   1.849500      -2.487200    
 H    1.378100      0.8725000      -2.415700    
 H  -0.2090000      0.1180000      -2.636700    
 H   -1.410500      0.5622000       1.560400    
 H   -2.193100      -2.715800     -0.6527000    
 H   -3.569800       1.298500       1.898500    
 H   -3.293000       2.278200      0.4350000    
 H   -4.401600      -1.451400     -0.5068000    
 H   -4.284100      -1.243800       1.267700    


%chk=000157029-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157029

0 1
Br 4.752038 0.268018 1.112041
O -1.294700 1.085397 -0.642150
O -4.463788 0.293308 0.380183
C 0.558700 -0.536395 -0.057303
C 2.122144 -0.827952 0.094643
C 0.195049 0.856443 -0.688234
C 2.700274 0.402466 0.860125
C 0.875465 1.980928 0.131732
C 2.406103 1.774911 0.244315
C -0.226708 -1.709291 -0.708179
C 2.305919 -2.085749 0.992785
C 2.834827 -1.088762 -1.257529
C 0.470888 1.030768 -2.194753
C -2.030302 0.570766 0.517914
C -1.659873 -1.863578 -0.222543
C -2.422385 -0.902657 0.351346
C -3.400843 1.300711 0.601514
C -3.880651 -1.018077 0.750606
H 0.206262 -0.478743 0.995825
H 2.355052 0.371191 1.910669
H 0.431117 2.010110 1.147860
H 0.659621 2.956229 -0.341342
H 2.886244 1.859199 -0.747319
H 2.846421 2.564668 0.878172
H 0.295330 -2.663516 -0.513169
H -0.237510 -1.603894 -1.812433
H 2.033209 -3.013160 0.460548
H 3.364024 -2.180117 1.292832
H 1.691659 -2.023165 1.911458
H 2.969587 -0.176817 -1.860678
H 3.836343 -1.515433 -1.077357
H 2.259903 -1.813993 -1.860310
H -0.095045 1.913229 -2.539864
H 1.537166 1.198196 -2.412336
H 0.124572 0.164596 -2.781766
H -1.450747 0.744754 1.449249
H -2.104660 -2.857365 -0.383274
H -3.540898 1.775432 1.593740
H -3.486379 2.057805 -0.193810
H -4.437612 -1.793983 0.201248
H -4.003214 -1.188577 1.844542


