%chk=000166303.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000166303

0 1
 Br   3.492300       1.195200      -2.867600    
 O   -5.389100      -1.864400     -0.3410000    
 O   -5.029800      -4.129900     -0.6147000    
 O    8.173600     -0.5698000       1.130900    
 O    8.344000      0.4885000     -0.7848000    
 N   -3.996800      0.5825000     -0.5748000    
 N    1.557500      0.7852000      4.3000001E-02
 N    2.072500     -0.2325000     -0.4756000    
 N    7.654500     -5.9000000E-02  0.1093000    
 N    2.654100      -1.882900       2.646200    
 C   -4.888200       1.191700      0.3827000    
 C   -5.134300       2.657700      3.6600001E-02
 C   -4.574000     -9.0200000E-02  -1.740200    
 C   -2.604800      0.6354000     -0.4151000    
 C   -6.038900       3.360100       1.052400    
 C   -4.619200      -1.590400      -1.504900    
 C   -2.053100       1.287200      0.6877000    
 C   -1.771500      3.5900000E-02  -1.359600    
 C  -0.6681000       1.339400      0.8462000    
 C   -7.424700       2.734500       1.087700    
 C   0.1651000      0.7401000     -9.8399997E-02
 C  -0.3866000      8.8299997E-02  -1.201400    
 C  -0.1002000       2.043200       2.035200    
 C   -5.514600      -3.184500     -7.7999998E-03
 C    3.469900     -0.1867000     -0.3336000    
 C   -6.345900      -3.320400       1.231800    
 C    4.069400     -0.7479000      0.7939000    
 C    4.256900      0.4168000      -1.314400    
 C    5.455900     -0.7056000      0.9408000    
 C    6.242900     -0.1020000     -3.9999999E-02
 C    5.643500      0.4593000      -1.167500    
 C    3.287700      -1.374800       1.817100    
 H   -4.563100       1.060000       1.420700    
 H   -5.847600      0.6614000      0.3460000    
 H   -5.575400       2.736600     -0.9653000    
 H   -4.182800       3.201000     -6.8999999E-03
 H   -4.064800      0.1700000      -2.674500    
 H   -5.604500      0.2646000      -1.876600    
 H   -6.129900       4.416200      0.7735000    
 H   -5.589300       3.326100       2.051100    
 H   -5.092100      -2.072000      -2.369000    
 H   -3.618400      -2.015400      -1.378800    
 H   -2.660900       1.780100       1.438600    
 H   -2.132200     -0.4779000      -2.243500    
 H   -7.860200       2.672900      8.5299999E-02
 H   -8.091100       3.344800       1.706300    
 H   -7.407700       1.732000       1.524800    
 H   0.2237000     -0.3716000      -1.974800    
 H   0.5028000       1.352800       2.634300    
 H   0.5253000       2.883700       1.716700    
 H  -0.8818000       2.445300       2.688800    
 H   -5.863000      -2.796400       2.060400    
 H   -6.436700      -4.378500       1.493900    
 H   -7.346200      -2.918300       1.052600    
 H    5.904900      -1.149100       1.827600    
 H    6.242200      0.9341000      -1.942000    


%chk=000166303-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000166303

0 1
Br 4.027627 0.115898 -3.424181
O -5.798823 -1.898145 -0.575664
O -5.621697 -4.170802 -1.052212
O 8.424602 -0.360246 1.381928
O 8.759576 -0.466291 -0.877100
N -3.972027 0.495774 -0.525661
N 1.634595 0.800505 0.113360
N 2.402625 0.251427 -0.814313
N 7.997569 -0.337154 0.160751
N 2.917853 0.348001 3.061455
C -4.894699 1.051071 0.496087
C -5.184690 2.560523 0.298715
C -4.604978 -0.115988 -1.711793
C -2.592383 0.566709 -0.391322
C -6.094451 3.148631 1.405480
C -4.773405 -1.638759 -1.623843
C -1.984222 1.245293 0.720253
C -1.715730 -0.042127 -1.363365
C -0.594518 1.326793 0.885086
C -7.521056 2.553556 1.436247
C 0.257501 0.706052 -0.099047
C -0.336330 0.031182 -1.214790
C -0.000255 2.050394 2.073814
C -6.136468 -3.252046 -0.381156
C 3.766335 0.193798 -0.505749
C -7.168863 -3.389000 0.714054
C 4.311452 0.170060 0.835608
C 4.690127 0.043953 -1.590342
C 5.697646 -0.007633 1.045947
C 6.552047 -0.150964 -0.062689
C 6.063662 -0.122210 -1.390665
C 3.480218 0.286660 2.006034
H -4.477854 0.871654 1.504213
H -5.827993 0.467864 0.437205
H -5.661848 2.712800 -0.690883
H -4.225650 3.112650 0.275115
H -4.025439 0.124671 -2.621174
H -5.602027 0.340390 -1.841291
H -6.163630 4.243205 1.253767
H -5.611168 3.004598 2.393660
H -5.128841 -2.054817 -2.584965
H -3.837082 -2.151943 -1.343808
H -2.612262 1.731068 1.471250
H -2.122099 -0.579812 -2.223622
H -8.018179 2.668174 0.454265
H -8.145138 3.066680 2.189844
H -7.516835 1.477644 1.690017
H 0.332299 -0.430850 -1.947998
H 0.623153 1.372518 2.684019
H 0.673818 2.861685 1.745951
H -0.789798 2.481049 2.712646
H -6.775987 -2.981043 1.661465
H -7.425445 -4.449397 0.847159
H -8.077170 -2.816182 0.458743
H 6.114279 -0.038270 2.055803
H 6.763254 -0.226852 -2.223006


