%chk=000104004.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104004

0 1
 Br   2.768100       2.711100       1.881800    
 O   -2.612100       2.787000     -0.9273000    
 O   -2.622200      -3.506300      0.7302000    
 O    2.758700      -2.159700      -1.562200    
 O    3.179000     -0.6086000      -3.057800    
 O    7.878500     -0.5954000     -0.1118000    
 O    7.774800      0.9415000       1.452300    
 N   -4.371400      0.6323000     -0.6209000    
 N  -0.6836000      -2.166900      0.6678000    
 N    1.083100      2.4800001E-02  0.3507000    
 N    1.726000      0.8150000     -0.3783000    
 N    3.230100      -1.043800      -1.883600    
 N    7.230700      0.2363000      0.5686000    
 C   -5.331300     -0.4460000     -0.4788000    
 C   -6.586400     -0.1453000      -1.304100    
 C   -5.668400     -0.6585000       1.000500    
 C   -7.426400      0.9868000     -0.7125000    
 C   -6.511700      0.4755000       1.583900    
 C   -7.764900      0.7309000      0.7527000    
 C   -3.017500      0.4862000     -0.3811000    
 C   -2.148300       1.566000     -0.5371000    
 C   -2.522900     -0.7547000      2.0300001E-02
 C   -1.159300     -0.9158000      0.2660000    
 C  -0.7844000       1.405000     -0.2920000    
 C  -0.2901000      0.1641000      0.1098000    
 C   -3.012100       3.687100      0.1036000    
 C   -1.414400      -3.343600      0.8703000    
 C  -0.5268000      -4.483300       1.303900    
 C    3.103200      0.6752000     -0.1360000    
 C    3.844300     -0.2429000     -0.8803000    
 C    3.729900       1.447800      0.8417000    
 C    5.211900     -0.3887000     -0.6467000    
 C    5.838400      0.3843000      0.3310000    
 C    5.097400       1.302600       1.075200    
 H   -4.930500      -1.372400     -0.9075000    
 H   -7.205300      -1.050500      -1.353600    
 H   -6.313400      0.1080000      -2.335800    
 H   -6.234200      -1.594500       1.096700    
 H   -4.772200     -0.7783000       1.617900    
 H   -6.893400       1.940500     -0.8044000    
 H   -8.353400       1.090700      -1.288200    
 H   -6.799200      0.2262000       2.611800    
 H   -5.913100       1.393100       1.636400    
 H   -8.309700       1.589600       1.160900    
 H   -8.433800     -0.1354000      0.8262000    
 H   -4.704800       1.554900     -0.8760000    
 H   -3.204900      -1.576400      0.1332000    
 H  -0.1431000       2.276500     -0.4037000    
 H   0.3203000      -2.214700      0.8299000    
 H   -3.805900       3.249900      0.7176000    
 H   -2.155700       3.952000      0.7319000    
 H   -3.395400       4.597100     -0.3661000    
 H   -1.128600      -5.382500       1.462000    
 H   0.2190000      -4.686100      0.5302000    
 H  -2.2399999E-02  -4.225000       2.239300    
 H    5.771300      -1.110800      -1.238400    
 H    5.570000       1.913300       1.841500    


%chk=000104004-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000104004

0 1
Br 3.292241 3.631821 1.194889
O -3.134190 2.808150 -0.536659
O -2.345468 -3.678989 0.199051
O 2.743883 -2.593800 -0.055098
O 2.448773 -1.280979 -1.903134
O 7.758412 -1.071978 0.431952
O 8.058823 1.085010 1.132805
N -4.576779 0.605300 -0.494322
N -0.560808 -2.154767 0.232770
N 0.937249 0.064780 0.186872
N 1.715993 1.149061 0.217619
N 2.877295 -1.480039 -0.706321
N 7.315475 0.111438 0.714602
C -5.596675 -0.469089 -0.497589
C -6.866380 0.041653 -1.224837
C -5.943950 -0.941011 0.945333
C -7.624088 1.124486 -0.415995
C -6.689953 0.147508 1.751103
C -7.961470 0.628439 1.010698
C -3.233107 0.433801 -0.312034
C -2.398654 1.630937 -0.339282
C -2.627762 -0.837331 -0.114590
C -1.233529 -0.939303 0.046492
C -1.027738 1.542525 -0.181495
C -0.411557 0.260482 0.016608
C -2.382182 4.068545 -0.589074
C -1.102865 -3.447753 0.294435
C -0.073031 -4.546292 0.512775
C 3.077825 0.856998 0.270724
C 3.681251 -0.406267 -0.074441
C 3.989177 1.874770 0.712112
C 5.043029 -0.675582 0.087602
C 5.875063 0.364044 0.551730
C 5.361647 1.648047 0.853955
H -5.178018 -1.324150 -1.063762
H -7.536773 -0.826659 -1.373067
H -6.597549 0.415611 -2.231618
H -6.582198 -1.842843 0.857138
H -5.022836 -1.251560 1.471589
H -7.020137 2.054184 -0.345099
H -8.548134 1.404108 -0.956230
H -6.954987 -0.247828 2.749709
H -6.013089 1.009301 1.921808
H -8.459542 1.432150 1.585653
H -8.683242 -0.211431 0.941990
H -4.887441 1.572651 -0.626516
H -3.218593 -1.752581 -0.089700
H -0.366529 2.412773 -0.192976
H 0.461672 -2.058930 0.315396
H -1.848443 4.243801 0.363605
H -1.660129 4.056891 -1.426607
H -3.135956 4.852135 -0.750241
H -0.413539 -5.458472 -0.001201
H 0.931599 -4.267533 0.153983
H -0.005270 -4.777164 1.592432
H 5.471867 -1.650608 -0.158250
H 6.042816 2.426738 1.204305


