%chk=000131984.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131984

0 1
 Br   5.993400       2.179800     -0.5385000    
 Br  0.4880000       3.265300      0.4563000    
 Br  -1.682200     -0.3961000      -2.745900    
 O    3.010900     -0.8474000       1.199000    
 O    3.764300      0.2072000      -2.205800    
 O    3.503900       3.778000      0.4453000    
 O    1.344500      -4.517300     -0.5050000    
 O   -2.134400      -2.095000     -0.1645000    
 N    2.262000      -2.022300       1.465800    
 N  -0.2320000      -3.552900      0.9390000    
 N   -6.381500       4.465600     -8.8799998E-02
 C    2.641800     -0.3509000     -0.1138000    
 C    2.113500      -1.582700     -0.8461000    
 C    3.915000      0.2303000     -0.7840000    
 C    1.572100      0.7023000      9.9699996E-02
 C    1.770800      -2.396200      0.3364000    
 C    4.203400       1.656700     -0.3731000    
 C    1.855000       2.015000      0.1751000    
 C    3.233700       2.474400      7.5000003E-02
 C   0.9370000      -3.608500      0.2091000    
 C   -1.201100      -4.624100      0.9668000    
 C   -2.254000      -4.486900     -0.1250000    
 C   -3.038200      -3.183800     -2.8800000E-02
 C    3.824500       3.850900       1.820000    
 C   -2.667300     -0.8352000     -7.9499997E-02
 C   -3.773400       1.714800      0.1592000    
 C   -4.365500       3.077500      0.2875000    
 C   -2.565400      7.0900001E-02  -1.135100    
 C   -3.322500     -0.4663000       1.095400    
 C   -3.118500       1.345800      -1.015800    
 C   -3.875400      0.8088000       1.214900    
 C   -5.822400       3.122300     -0.1951000    
 H    2.887200      -2.116700      -1.407200    
 H    1.250900      -1.392800      -1.487900    
 H    4.763800     -0.4167000     -0.5269000    
 H   0.5476000      0.3592000      0.2247000    
 H    4.597500      0.5231000      -2.595800    
 H  -0.4343000      -2.718500       1.482400    
 H   -1.670900      -4.610200       1.955900    
 H  -0.6761000      -5.579100      0.8546000    
 H   -2.947200      -5.333600     -7.0000000E-02
 H   -1.756800      -4.529800      -1.102300    
 H   -3.781900      -3.143200     -0.8335000    
 H   -3.561100      -3.151300      0.9333000    
 H    4.031100       4.897600       2.063700    
 H    4.719800       3.270200       2.065700    
 H    2.990500       3.522100       2.449700    
 H   -4.306600       3.408500       1.333100    
 H   -3.760900       3.796600     -0.2813000    
 H   -3.395100      -1.148300       1.937800    
 H   -3.042900       2.055800      -1.836400    
 H   -4.380600       1.085200       2.136600    
 H   -5.882900       2.798300      -1.240400    
 H   -6.436500       2.430400      0.3931000    
 H   -7.363500       4.445400     -0.3606000    
 H   -6.359900       4.769100      0.8840000    


%chk=000131984-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000131984

0 1
Br 5.642934 2.086522 2.508139
Br 6.110333 2.111348 -3.294098
Br -1.631813 0.796887 0.467390
O 2.399382 0.475432 -0.435109
O 5.502157 -1.083147 0.941623
O 6.354312 3.174924 -0.350191
O 1.623685 -4.098416 -0.402228
O -3.096504 -1.800889 -0.047678
N 1.364325 -0.508520 -0.237776
N -0.290090 -2.815008 0.031795
N -8.050746 4.290895 1.132710
C 3.777483 -0.283901 -0.581553
C 3.348211 -1.763386 -0.702818
C 4.522052 0.011475 0.752795
C 4.439571 0.294242 -1.798554
C 1.868973 -1.718415 -0.369268
C 5.205023 1.358355 0.749509
C 5.257991 1.376829 -1.692572
C 5.592145 2.008780 -0.391280
C 1.050623 -2.967978 -0.246207
C -1.167770 -3.986497 0.180869
C -2.367943 -3.986356 -0.798484
C -3.570887 -3.172438 -0.314764
C 5.618579 4.431977 -0.639655
C -4.028069 -0.859516 0.408741
C -5.783968 1.196805 1.355333
C -6.708585 2.311872 1.814149
C -3.538790 0.441096 0.703338
C -5.407785 -1.120153 0.595785
C -4.398409 1.450093 1.167034
C -6.266624 -0.100350 1.062375
C -7.205910 3.191404 0.634008
H 3.908175 -2.412730 -0.012398
H 3.497655 -2.167921 -1.719543
H 3.769718 -0.018693 1.566554
H 4.211801 -0.155914 -2.768393
H 6.050186 -0.879454 1.743095
H -0.700199 -1.876649 0.119318
H -1.537826 -4.044624 1.224629
H -0.530559 -4.868734 0.000219
H -2.715063 -5.029265 -0.937794
H -2.030936 -3.619679 -1.784964
H -4.368635 -3.148554 -1.084516
H -3.987101 -3.598779 0.622449
H 6.384608 5.220349 -0.621940
H 4.861610 4.612992 0.145066
H 5.139030 4.392068 -1.634302
H -7.589909 1.883525 2.332303
H -6.203415 2.980266 2.534848
H -5.815677 -2.112938 0.384653
H -3.989830 2.441054 1.393330
H -7.330266 -0.324210 1.206474
H -6.327691 3.634174 0.127358
H -7.705387 2.528520 -0.114037
H -8.200610 5.055412 0.469070
H -8.922366 3.987116 1.577165


