%chk=000063937.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063937

0 1
 Br   7.042000      -1.388200      0.6732000    
 O    2.619600       1.086300      -1.342500    
 O   -5.409900      -3.086900     -5.5700000E-02
 N   -2.060600       2.303100      0.9037000    
 N   0.8046000     -0.3509000      -1.069200    
 N    1.084000      -2.483200     -5.5000000E-02
 C  -0.7273000       1.487100     -0.6391000    
 C  -0.1925000       2.727500     -0.2395000    
 C   -1.866000       1.238900      6.4700000E-02
 C  -0.1293000      0.5821000      -1.680200    
 C   -1.053700       3.227500      0.7396000    
 C   -2.781300      0.1222000      3.3799998E-02
 C   0.9364000       3.488700     -0.6024000    
 C  -0.8417000       4.455500       1.376300    
 C    2.147600      1.9900000E-02 -0.9603000    
 C    1.161200       4.718900      2.6100000E-02
 C    3.020700     -0.9948000     -0.3265000    
 C   0.3526000      -1.575400     -0.6123000    
 C   0.2845000       5.192900       1.000000    
 C   -2.573200     -0.9712000      0.8731000    
 C   -3.871100      0.1394000     -0.8352000    
 C    2.452100      -2.202800      9.9100001E-02
 C   -3.456900      -2.049900      0.8433000    
 C   -4.754900     -0.9393000     -0.8650000    
 C    4.387000     -0.7468000     -0.1582000    
 C   -4.547800      -2.034000     -2.5800001E-02
 C    3.276800      -3.161800      0.6979000    
 C    5.194400      -1.713000      0.4403000    
 C    4.640800      -2.918500      0.8678000    
 C   -5.138600      -4.173500      0.8284000    
 H  -0.9185000      1.7999999E-02  -2.191500    
 H   0.3851000       1.174300      -2.445900    
 H   -2.830100       2.401300       1.552000    
 H    1.606800       3.178700      -1.394600    
 H   -1.524000       4.825600       2.134100    
 H    2.022900       5.316700     -0.2591000    
 H  -0.7106000      -1.769200     -0.7981000    
 H   0.4767000       6.152600       1.473000    
 H   -1.731600     -0.9951000       1.561500    
 H   -4.045900      0.9850000      -1.496200    
 H   -3.237400      -2.866800       1.522300    
 H   -5.602800     -0.9214000      -1.544400    
 H    4.821800      0.1926000     -0.4904000    
 H    2.859900      -4.107300       1.036700    
 H    5.257700      -3.681200       1.336200    
 H   -4.184300      -4.656100      0.5916000    
 H   -5.922600      -4.921500      0.6713000    
 H   -5.198000      -3.863400       1.877200    


%chk=000063937-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000063937

0 1
Br 7.712818 -1.038027 -0.837850
O 2.612068 0.842058 -2.221430
O -5.851255 -3.151735 -0.455297
N -2.177554 2.064912 1.061789
N 1.096805 -0.396233 -0.914433
N 1.797436 -2.086380 0.665237
C -0.754465 1.246685 -0.522656
C -0.190933 2.472851 0.014750
C -1.981302 1.025850 0.131086
C -0.075941 0.336971 -1.510750
C -1.109265 2.968074 1.004341
C -2.975656 -0.056519 0.003605
C 1.002571 3.197688 -0.249035
C -0.879571 4.163187 1.719603
C 2.414757 -0.056797 -1.347452
C 1.237244 4.389328 0.463318
C 3.476480 -0.840560 -0.683349
C 0.868375 -1.370085 0.056239
C 0.308548 4.867339 1.435377
C -3.549295 -0.655390 1.157388
C -3.408192 -0.521337 -1.273405
C 3.133006 -1.825844 0.299302
C -4.510384 -1.684412 1.056373
C -4.356278 -1.550124 -1.389807
C 4.833914 -0.603105 -1.023870
C -4.912752 -2.139022 -0.224943
C 4.173132 -2.565043 0.928594
C 5.829830 -1.349240 -0.383623
C 5.515831 -2.332318 0.593444
C -6.458877 -3.796599 0.713005
H -0.769779 -0.424739 -1.903470
H 0.343681 0.903311 -2.359812
H -3.038591 2.197156 1.589403
H 1.719258 2.839494 -0.996387
H -1.588917 4.533290 2.468193
H 2.149371 4.964250 0.269564
H -0.182570 -1.531416 0.318513
H 0.523244 5.798867 1.970940
H -3.215776 -0.337171 2.152423
H -3.027052 -0.038817 -2.179897
H -4.921009 -2.126649 1.968806
H -4.695261 -1.903527 -2.368099
H 5.061041 0.156591 -1.777216
H 3.897087 -3.313398 1.676841
H 6.315364 -2.899953 1.077937
H -5.694826 -4.301853 1.334852
H -7.152665 -4.542360 0.299040
H -7.019094 -3.066647 1.328913


