%chk=000171615.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000171615

0 1
 Br -0.1831000       4.352400      0.9993000    
 O    2.874600      -1.148300     -6.4099997E-02
 O    3.899700      0.8829000     -0.4143000    
 N   -2.544800      -1.129900      0.1180000    
 N   -2.366700       2.326900     -1.0700000E-02
 C   -1.988700     -0.3405000     -0.9804000    
 C  -0.8376000      0.5178000     -0.5277000    
 C   -1.524200      -2.013800      0.6801000    
 C   -3.696000      -1.905800     -0.3419000    
 C   -1.051000       1.808900     -6.1500002E-02
 C   0.4448000     -1.4000000E-02 -0.5876000    
 C   -2.084800      -2.842200       1.823600    
 C   -4.792600     -0.9985000     -0.8732000    
 C    1.530800      0.7577000     -0.1747000    
 C   3.5000000E-02   2.580700      0.3515000    
 C    1.325800       2.055100      0.2949000    
 C    2.876300      0.2094000     -0.2339000    
 C    4.145300      -1.806800     -0.1012000    
 C    3.937200      -3.292100      0.1040000    
 H   -2.724000      0.3029000      -1.471200    
 H   -1.641500      -1.003100      -1.787800    
 H   -1.088700      -2.681200     -7.4100003E-02
 H  -0.7161000      -1.436800       1.138100    
 H   -3.417800      -2.640900      -1.107600    
 H   -4.154500      -2.452000      0.4885000    
 H   0.5976000      -1.015300     -0.9829000    
 H   -1.260300      -3.302900       2.380100    
 H   -2.651400      -2.229000       2.533000    
 H   -2.717600      -3.664300       1.475000    
 H   -4.991800     -0.1602000     -0.1967000    
 H   -4.569300     -0.6077000      -1.870400    
 H   -5.724500      -1.567800     -0.9671000    
 H    2.174200       2.654000      0.6193000    
 H   -3.174400       1.733800     -0.1342000    
 H   -2.504500       3.265700      0.3419000    
 H    4.618700      -1.628500      -1.073000    
 H    4.784900      -1.407700      0.6936000    
 H    4.890400      -3.827600      8.1000000E-02
 H    3.446900      -3.483300       1.064200    
 H    3.282900      -3.700300     -0.6735000    


%chk=000171615-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000171615

0 1
Br -0.443600 3.924781 1.303112
O 3.440621 -1.100802 -0.524468
O 4.160953 0.978531 0.257042
N -2.868213 -1.172088 0.144278
N -2.333887 1.525821 0.410152
C -1.668657 -1.024849 -0.745859
C -0.604722 -0.069745 -0.217404
C -2.505513 -1.810813 1.449202
C -3.975053 -1.893873 -0.554171
C -0.995224 1.226317 0.287491
C 0.754450 -0.400547 -0.314070
C -3.541150 -1.551978 2.558315
C -4.702441 -1.037613 -1.608187
C 1.774544 0.520117 0.048399
C 0.052333 2.136624 0.632716
C 1.404364 1.808294 0.519860
C 3.215963 0.202464 -0.045674
C 4.871499 -1.499901 -0.650436
C 4.884911 -2.920840 -1.206281
H -2.039123 -0.637194 -1.714932
H -1.199343 -2.016440 -0.949328
H -2.349297 -2.908983 1.316940
H -1.534158 -1.386380 1.761038
H -3.590988 -2.831887 -1.025572
H -4.706187 -2.201371 0.213764
H 1.048885 -1.385815 -0.689373
H -3.196950 -2.001925 3.507413
H -3.671183 -0.467102 2.718912
H -4.529463 -1.987782 2.325405
H -5.110457 -0.119608 -1.149347
H -4.041501 -0.738506 -2.440839
H -5.542431 -1.609741 -2.042946
H 2.191843 2.516371 0.794425
H -2.976007 0.706126 0.349939
H -2.621647 2.434732 0.769855
H 5.379709 -0.779817 -1.317356
H 5.343675 -1.431507 0.346697
H 5.927812 -3.269698 -1.318674
H 4.358072 -3.614388 -0.528369
H 4.396762 -2.961283 -2.195266


