%chk=000172817.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000172817

0 1
 Br  -2.700000       3.384400      0.3449000    
 O    3.059000       2.928300       1.539000    
 O    3.725900      0.8264000      -2.293500    
 O    3.905200      -1.446000      -1.940100    
 O    2.327200      -3.474100      0.6296000    
 O   -2.414600      -2.261300      -1.560200    
 O   -2.440700      -2.569500      0.6132000    
 O   -7.586000     -0.7074000     -0.2934000    
 O   -7.658900       1.465000      1.4100000E-02
 N    4.578200      0.5985000       1.230300    
 N   0.5307000      -1.959700      0.8179000    
 N  -0.9913000      0.4086000       1.134000    
 N   -1.402700      0.5633000     -3.9000001E-02
 N   -2.737100      -1.900400     -0.4042000    
 N   -7.015000      0.3978000     -0.1299000    
 C    5.419800     -0.3282000      0.4999000    
 C    5.518400      9.9399999E-02 -0.9682000    
 C    3.196400      0.5560000       1.207100    
 C    6.797200     -0.3549000       1.153800    
 C    2.447700       1.722800       1.362400    
 C    2.551400     -0.6675000       1.026300    
 C    1.157900     -0.7243000       1.000600    
 C    4.305000     -0.3008000      -1.782300    
 C   0.4092000      0.4425000       1.156200    
 C    1.054100       1.666100       1.337400    
 C    2.548600      0.6125000      -3.078700    
 C    1.128400      -3.214100      0.6480000    
 C    3.363900       3.677500      0.3647000    
 C   -2.807500      0.5291000     -6.0800001E-02
 C    2.032700       1.949000      -3.567900    
 C   -3.464700     -0.6881000     -0.2411000    
 C   9.9299997E-02  -4.303800      0.4808000    
 C   -3.544600       1.702900      9.6500002E-02
 C   -4.858800     -0.7317000     -0.2643000    
 C   -5.595700      0.4422000     -0.1066000    
 C   -4.938700       1.659400      7.3799998E-02
 H    5.060900      -1.359400      0.5598000    
 H    5.684600       1.181200      -1.047700    
 H    6.377000     -0.3792000      -1.455700    
 H    4.993000       1.491500       1.479200    
 H    7.458100      -1.066600      0.6479000    
 H    6.723400     -0.6521000       2.205900    
 H    7.273700      0.6316000       1.122000    
 H    3.151600      -1.556200      0.9562000    
 H   0.4751000       2.577800       1.462100    
 H  -0.4844000      -1.930100      0.8251000    
 H    1.784400      0.1237000      -2.464000    
 H    2.791400     -2.7000001E-02  -3.934700    
 H    3.851000       4.607900      0.6689000    
 H    2.447400       3.924800     -0.1806000    
 H    4.047100       3.122100     -0.2848000    
 H    1.801300       2.604400      -2.721600    
 H    2.793100       2.460100      -4.167300    
 H    1.130800       1.822400      -4.173200    
 H  -0.4636000      -4.145000     -0.4419000    
 H  -0.5739000      -4.320700       1.341600    
 H   0.6024000      -5.273300      0.4181000    
 H   -5.351400      -1.691600     -0.4063000    
 H   -5.497700       2.584300      0.1982000    


%chk=000172817-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000172817

0 1
Br -3.530203 3.443426 2.028494
O 3.266296 3.000524 1.027228
O 3.964568 0.122087 -2.400312
O 4.722936 -2.067021 -2.110653
O 2.400640 -3.515005 0.685353
O -1.697426 -0.402167 -1.959331
O -2.437615 -2.210504 -0.770711
O -7.454228 -0.826959 -0.979024
O -8.019772 1.056634 0.189569
N 4.700178 0.830708 0.722756
N 0.637536 -1.969463 0.612096
N -0.844685 0.245589 0.691342
N -1.643966 1.309395 0.784689
N -2.426929 -0.943413 -1.044298
N -7.150647 0.228602 -0.293877
C 5.740455 -0.159438 0.387265
C 6.006044 -0.196938 -1.158131
C 3.346730 0.627627 0.778008
C 7.036477 0.192068 1.146742
C 2.517488 1.821280 0.919506
C 2.730794 -0.650233 0.707236
C 1.327080 -0.755193 0.712614
C 4.863630 -0.834893 -1.933564
C 0.509528 0.446413 0.784424
C 1.137822 1.731173 0.906108
C 2.733821 -0.410978 -3.079849
C 1.163065 -3.273019 0.585573
C 2.522937 4.261453 1.144803
C -2.970192 1.032171 0.461091
C 1.767239 0.755123 -3.247128
C -3.408689 -0.082996 -0.341876
C 0.106555 -4.360470 0.454320
C -4.009208 1.897990 0.940405
C -4.756597 -0.376367 -0.571638
C -5.725437 0.503097 -0.047587
C -5.363912 1.651285 0.698278
H 5.396357 -1.157857 0.709650
H 6.192355 0.829185 -1.519186
H 6.906525 -0.811370 -1.331615
H 4.993174 1.812769 0.774779
H 7.812648 -0.566718 0.949947
H 6.853488 0.226975 2.234348
H 7.434065 1.174124 0.826173
H 3.313972 -1.568744 0.628369
H 0.480200 2.601791 0.974625
H -0.384734 -1.860327 0.547506
H 2.319866 -1.218174 -2.450163
H 3.046610 -0.849334 -4.044607
H 3.288769 5.045582 1.226283
H 1.886895 4.255180 2.049424
H 1.898915 4.430670 0.247643
H 1.496790 1.185862 -2.268005
H 2.203237 1.549701 -3.876784
H 0.837323 0.397127 -3.724535
H 0.562823 -5.241533 -0.021347
H -0.766877 -4.028827 -0.132734
H -0.245698 -4.662180 1.458661
H -5.065457 -1.242776 -1.162280
H -6.148356 2.307785 1.081424


