%chk=000063129.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063129

0 1
 Br  -5.977900      -2.729300      0.3258000    
 Cl  -6.963400      0.3572000       1.166200    
 O    4.478200     -0.9898000      -1.449000    
 O    1.350200     -0.1655000      0.8220000    
 O  -0.9256000      -1.472900      -1.129700    
 N    5.394800       1.126500      0.4196000    
 N  -0.5946000      0.8193000     -0.8548000    
 N   -2.377500       2.195400     -3.7300002E-02
 C    4.121000      0.3985000      0.5152000    
 C    4.252400      -1.031600     -4.0500000E-02
 C    5.395800      -1.786200      0.6398000    
 C    6.687400     -0.9725000      0.5985000    
 C    6.467900      0.4387000       1.137200    
 C    3.044900       1.197200     -0.2224000    
 C    1.678800      0.5496000     -0.1241000    
 C   0.7639000      0.7856000      -1.308200    
 C   -1.349800     -0.3682000     -0.8043000    
 C   -2.741800     -0.2184000     -0.3206000    
 C   -1.169200       2.027700     -0.4635000    
 C   -3.196500       1.056500      4.2199999E-02
 C   -3.582900      -1.332300     -0.2297000    
 C   -4.511400       1.198400      0.4990000    
 C   -4.890300      -1.173400      0.2275000    
 C   -5.354300      8.9400001E-02  0.5913000    
 H    3.840300      0.3334000       1.575600    
 H    3.335100      -1.607800      0.1212000    
 H    5.564800      -2.748500      0.1431000    
 H    5.129900      -1.991100       1.683900    
 H    7.460200      -1.478000       1.188600    
 H    7.058400     -0.9202000     -0.4329000    
 H    6.242500      0.4051000       2.210100    
 H    7.393800       1.013100       1.023400    
 H    5.281600       2.064600      0.8033000    
 H    2.949100       2.202700      0.2057000    
 H    3.309200       1.320100      -1.279300    
 H    3.631300     -0.7854000      -1.880000    
 H    1.013100       1.746100      -1.771100    
 H   0.9227000     -1.7700000E-02  -2.034200    
 H  -0.4877000       2.889800     -0.5400000    
 H   -3.220100      -2.317200     -0.5138000    
 H   -4.871500       2.185700      0.7826000    


%chk=000063129-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000063129

0 1
Br -4.394176 -3.751808 0.500378
Cl -6.468896 -1.127064 0.955420
O 2.985044 -0.772989 -0.982953
O 1.357608 1.862237 1.296027
O 0.199017 -0.899018 -0.809257
N 5.510622 0.731825 0.052637
N -0.405044 1.372437 -0.813228
N -2.619199 2.137741 -0.217908
C 4.143695 0.735529 0.611783
C 3.432314 -0.634667 0.414033
C 4.346378 -1.814269 0.809051
C 5.714438 -1.723353 0.103708
C 6.386381 -0.386131 0.468359
C 3.364892 1.885561 -0.104313
C 1.870525 1.837623 0.148103
C 0.983001 1.752175 -1.120990
C -0.695045 -0.009885 -0.637963
C -2.088603 -0.289548 -0.264151
C -1.367097 2.357706 -0.567138
C -3.004497 0.794114 -0.063163
C -2.518057 -1.629079 -0.091074
C -4.343811 0.507467 0.310914
C -3.843262 -1.900865 0.276131
C -4.754087 -0.821329 0.477053
H 4.127433 0.936506 1.713286
H 2.545115 -0.633593 1.081953
H 3.828637 -2.758676 0.560897
H 4.495993 -1.798935 1.909639
H 6.365011 -2.566600 0.403349
H 5.566433 -1.766517 -0.990599
H 6.601683 -0.382462 1.568440
H 7.352035 -0.280351 -0.059564
H 5.965667 1.649515 0.142370
H 3.752468 2.856033 0.268514
H 3.583777 1.799080 -1.181187
H 2.015488 -1.018383 -0.979047
H 0.987904 2.737991 -1.623640
H 1.430150 1.014604 -1.807448
H -1.023707 3.389986 -0.689071
H -1.797162 -2.436271 -0.248741
H -5.036268 1.338264 0.465790


