%chk=000042814.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042814

0 1
 Br   2.220000       3.507500     -0.1680000    
 O   -1.358300      -1.760100     -0.5822000    
 O    1.101100      -2.425700      0.1079000    
 N   -2.058500      0.2132000      0.4141000    
 C   -3.465900     -0.1123000      0.4597000    
 C   -4.489300      0.9684000      0.5076000    
 C   -4.333500      0.1290000     -0.7266000    
 C   -1.085100     -0.6433000     -0.1106000    
 C   0.2953000     -0.1810000     -6.2100001E-02
 C    1.351100      -1.086100      4.5299999E-02
 C   0.5542000       1.188200     -0.1253000    
 C    2.665900     -0.6221000      8.9599997E-02
 C    1.868900       1.652300     -8.0899999E-02
 C    2.924700      0.7472000      2.6500000E-02
 C    3.809500      -1.575300      0.2051000    
 H   -3.666600     -0.9980000       1.053300    
 H   -4.160800       1.999300      0.4586000    
 H   -5.368700      0.8073000       1.119000    
 H   -5.106900     -0.5972000     -0.9442000    
 H   -3.899700      0.5975000      -1.601500    
 H   -1.789300       1.087100      0.8566000    
 H  -0.2485000       1.911900     -0.2418000    
 H    3.949600       1.109600      6.1000001E-02
 H    4.771800      -1.051600      0.2267000    
 H    3.738600      -2.153500       1.132300    
 H    3.834200      -2.255000     -0.6531000    
 H    1.921800      -2.936500      0.1803000    


%chk=000042814-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000042814

0 1
Br 2.304655 3.576651 -0.656280
O -1.469760 -1.536622 -1.185076
O 1.007226 -2.368453 0.345939
N -2.063799 0.043270 0.423324
C -3.476315 -0.273290 0.378343
C -4.475747 0.807945 0.793724
C -4.368420 0.385741 -0.681928
C -1.138930 -0.630003 -0.368798
C 0.285464 -0.141433 -0.198913
C 1.349993 -1.038301 0.078177
C 0.576169 1.229640 -0.406888
C 2.700915 -0.588438 0.131258
C 1.909589 1.673893 -0.353283
C 2.968310 0.782285 -0.094076
C 3.821011 -1.565774 0.438247
H -3.710041 -1.313364 0.630601
H -4.082661 1.793743 1.063807
H -5.352318 0.498352 1.368822
H -5.166565 -0.219577 -1.118487
H -3.884469 1.078969 -1.374799
H -1.718062 0.663444 1.158607
H -0.234883 1.925513 -0.640720
H 4.000316 1.144394 -0.060235
H 4.798805 -1.058035 0.423419
H 3.707708 -2.024474 1.440897
H 3.875793 -2.385250 -0.307214
H 1.811615 -2.940023 0.418833


