%chk=000042818.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042818

0 1
 Br   4.857400      0.1960000      0.5200000    
 O   -4.197200     -0.1599000      0.8414000    
 O   -1.039600     -0.6549000     -0.4979000    
 O  -0.6454000       2.408400      0.9329000    
 N  -0.2995000       2.609900      -1.325200    
 C   -3.300300      -1.044100      0.1849000    
 C   -3.967100      5.5399999E-02 -0.5570000    
 C   -1.868400     -0.8647000      0.6424000    
 C   0.2913000     -0.4605000     -0.2676000    
 C    1.157300      -1.553500     -0.2331000    
 C   0.7862000      0.8281000     -6.7299999E-02
 C    2.518300      -1.357900      1.7000000E-03
 C    2.147100       1.023700      0.1675000    
 C   0.6462000      -2.940500     -0.4455000    
 C    3.013300     -6.9200002E-02  0.2020000    
 C  -9.9500000E-02   1.983800     -9.9299997E-02
 H   -3.594600      -2.065900     -6.0000003E-04
 H   -3.394200      0.9291000     -0.8392000    
 H   -4.768700     -0.1988000      -1.238500    
 H   -1.553900      -1.766900       1.178800    
 H   -1.785700     -1.4400000E-02   1.329300    
 H    3.192200      -2.211200      3.0500000E-02
 H    2.529000       2.030400      0.3235000    
 H    1.450500      -3.620100     -0.7484000    
 H   0.2049000      -3.327600      0.4780000    
 H  -0.1042000      -2.969600      -1.242400    
 H   0.1437000       2.281000      -2.177200    
 H  -0.9020000       3.422300      -1.404000    


%chk=000042818-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042818

0 1
Br 4.905472 0.406864 0.414054
O -4.456748 -0.801132 0.959344
O -1.044557 -0.875497 -0.645995
O -1.348325 1.979459 0.199519
N 0.147049 2.916070 -1.305939
C -3.372683 -1.037021 -0.066184
C -4.165817 0.228585 -0.118969
C -1.975895 -1.031405 0.511725
C 0.294009 -0.578980 -0.317459
C 1.218697 -1.647648 -0.144137
C 0.729687 0.775417 -0.287001
C 2.584827 -1.336824 0.068434
C 2.101857 1.066667 -0.075779
C 0.753633 -3.088771 -0.204199
C 3.006371 0.005621 0.105821
C -0.253163 1.914615 -0.436779
H -3.596416 -1.838637 -0.781972
H -3.690646 1.149777 0.235359
H -4.959289 0.333052 -0.868364
H -1.755178 -1.983889 1.034347
H -1.850179 -0.177048 1.198295
H 3.309063 -2.146500 0.200243
H 2.442789 2.104668 -0.019648
H 1.568467 -3.757881 -0.527860
H 0.411700 -3.439829 0.788620
H -0.095118 -3.192884 -0.900657
H 0.966879 2.813617 -1.901691
H -0.459388 3.727931 -1.423428


