%chk=000176105.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176105

0 1
 Br  -3.956600       3.420400     -0.2143000    
 O   -1.318700       2.520700      0.9517000    
 O   0.4002000     -0.1175000       2.051800    
 N   -3.335100     -0.7334000     -0.3432000    
 N    1.049100      0.2609000     -0.1802000    
 C   -1.964700     -0.8475000      5.2000000E-03
 C   -1.332200      -2.218700     -0.1531000    
 C   -1.242600      0.2167000      0.4243000    
 C   -3.917100      0.5511000     -0.4890000    
 C   -1.434400      -3.015600       1.134700    
 C    2.463300      0.2126000     -0.1214000    
 C   -1.902800       1.554300      0.4676000    
 C    3.174700       1.378500      0.1180000    
 C    3.111000     -0.9994000     -0.3051000    
 C   0.1585000      9.8800004E-02  0.8688000    
 C   -3.272800       1.678100     -0.1119000    
 C   -4.144500      -1.944300     -0.5735000    
 C    2.491400       2.692700      0.3173000    
 C    2.358900      -2.264700     -0.5639000    
 C   -5.299400      0.6100000      -1.113700    
 C  -0.8156000      -4.393600      0.9589000    
 C    4.567500       1.331100      0.1748000    
 C    4.504000      -1.046600     -0.2482000    
 C    5.232100      0.1187000     -8.2000000E-03
 C    2.292400       3.445000     -0.9946000    
 C    2.133200      -2.508300      -2.052600    
 H   -1.802400      -2.767400     -0.9788000    
 H  -0.3127000      -2.115300     -0.4978000    
 H  -0.8953000      -2.501900       1.939300    
 H   -2.463300      -3.127500       1.487300    
 H   0.6744000      0.4363000      -1.110300    
 H   -3.825400      -2.813300      5.0000002E-04
 H   -4.124400      -2.207400      -1.636700    
 H   -5.187500      -1.794300     -0.2751000    
 H    1.530700       2.573400      0.8284000    
 H    3.089700       3.316600      0.9943000    
 H    2.955300      -3.106900     -0.1846000    
 H    1.462500      -2.313400      4.3400001E-02
 H   -5.352700     -3.7599999E-02  -1.996000    
 H   -5.584800       1.602700      -1.469300    
 H   -6.057600      0.2903000     -0.3913000    
 H   0.2387000      -4.324700      0.6750000    
 H   -1.343200      -4.964500      0.1879000    
 H  -0.8753000      -4.956400       1.895900    
 H    5.148800       2.231000      0.3583000    
 H    5.037200      -1.982900     -0.3915000    
 H    6.316800      8.2099997E-02  3.4800000E-02
 H    3.249400       3.639300      -1.490600    
 H    1.805700       4.407400     -0.8073000    
 H    1.663200       2.876200      -1.687400    
 H    1.522900      -1.714400      -2.495700    
 H    1.613000      -3.459500      -2.203100    
 H    3.081500      -2.549400      -2.599000    


%chk=000176105-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000176105

0 1
Br -3.346783 3.048576 -1.750493
O -0.598692 1.966165 -1.122018
O 0.680781 -1.644128 0.681311
N -3.468263 -0.939015 -0.360298
N 1.261362 0.289055 -0.493694
C -2.117831 -1.264330 -0.133862
C -1.831883 -2.695509 0.290528
C -1.114200 -0.294440 -0.334789
C -3.868580 0.317671 -0.856837
C -1.866924 -2.924514 1.831658
C 2.682398 0.240099 -0.273329
C -1.466742 1.043273 -0.855867
C 3.290052 1.360770 0.371856
C 3.468847 -0.858159 -0.737062
C 0.342544 -0.619212 -0.005140
C -2.888980 1.275000 -1.080416
C -4.528302 -1.952035 -0.100121
C 2.476008 2.561536 0.837217
C 2.876263 -2.019966 -1.521757
C -5.337199 0.545845 -1.133063
C -1.574860 -4.397365 2.183164
C 4.692506 1.354884 0.567823
C 4.866194 -0.825793 -0.504493
C 5.481584 0.267182 0.141475
C 2.327335 3.654296 -0.257879
C 2.455314 -1.626504 -2.963865
H -2.529525 -3.390332 -0.214255
H -0.812652 -2.948704 -0.035124
H -1.094617 -2.274771 2.277250
H -2.843261 -2.619205 2.262041
H 0.822996 1.164592 -0.876112
H -4.224285 -2.613507 0.718942
H -4.733516 -2.558376 -1.000826
H -5.453388 -1.448016 0.208301
H 1.468485 2.243388 1.163293
H 2.973422 3.009156 1.718543
H 3.631996 -2.826422 -1.580623
H 2.009885 -2.434870 -0.977383
H -5.777180 -0.274977 -1.725903
H -5.464714 1.479021 -1.698533
H -5.921032 0.647534 -0.198077
H -0.573922 -4.689243 1.817258
H -2.317687 -5.082498 1.730369
H -1.592350 -4.554083 3.276747
H 5.159630 2.209205 1.073090
H 5.475236 -1.670374 -0.849273
H 6.564386 0.269626 0.310014
H 3.318471 3.993938 -0.609945
H 1.779624 4.528121 0.139975
H 1.760665 3.280589 -1.128350
H 1.686968 -0.833650 -2.950669
H 2.038663 -2.499791 -3.500016
H 3.320755 -1.251230 -3.539985


