%chk=000063590.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063590

0 1
 Br  -6.686000      -1.670300      0.5618000    
 Br  -7.174900       3.906600     -0.2825000    
 O   -1.926400       2.586300     -0.3892000    
 N   -1.703200      0.2580000     -0.1055000    
 N   -3.675400      -1.057300      0.1935000    
 N    4.738200     -8.3099999E-02 -0.8183000    
 N    4.651100       1.335200      0.8907000    
 C  -0.2663000      0.3477000     -6.5300003E-02
 C   -2.385900     -0.9648000      7.4100003E-02
 C   -3.885400       1.355400     -0.1455000    
 C   -2.415000       1.467500     -0.2487000    
 C    2.505000      0.5201000      1.2200000E-02
 C   -4.449300      0.1035000      0.1010000    
 C    3.944200      0.6107000      5.2299999E-02
 C   0.3717000      0.5909000       1.144000    
 C   0.4632000      0.1897000      -1.236600    
 C   -1.641600      -2.247200      5.4000001E-02
 C    1.763300      0.6774000       1.182900    
 C    1.854800      0.2763000      -1.197600    
 C    6.043900      0.2134000     -0.5217000    
 C    5.963000       1.100400      0.5482000    
 C   -4.694900       2.492200     -0.2609000    
 C   -5.839400     -9.9999997E-05  0.2310000    
 C   -1.403200      -2.887900      -1.157100    
 C   -1.186700      -2.797500       1.247400    
 C   -6.078000       2.374900     -0.1297000    
 C   -6.650400       1.129700      0.1175000    
 C    7.251900     -0.2054000      -1.080500    
 C    7.147500       1.609800       1.106500    
 C    8.420900      0.3115000     -0.5125000    
 C  -0.7014000      -4.093200      -1.175000    
 C  -0.4850000      -4.002900       1.229500    
 C    8.371900       1.203200      0.5616000    
 C  -0.2423000      -4.650800      1.8300001E-02
 H  -0.1983000      0.7132000       2.061000    
 H  -3.5200000E-02  4.8000002E-03  -2.184200    
 H    2.250000      0.8649000       2.137000    
 H    2.401300      0.1625000      -2.130300    
 H    4.432100     -0.7162000      -1.545400    
 H   -4.252600       3.467600     -0.4488000    
 H   -1.756900      -2.461100      -2.091700    
 H   -1.370800      -2.299900       2.195700    
 H    7.287300     -0.8976000      -1.914200    
 H   -7.729800       1.040400      0.2201000    
 H    7.120000       2.303000       1.941100    
 H    9.385700      1.3100000E-02 -0.9153000    
 H  -0.5122000      -4.597400      -2.118100    
 H  -0.1271000      -4.436700       2.158600    
 H    9.297600       1.588000      0.9818000    
 H   0.3044000      -5.589100      4.3000001E-03


%chk=000063590-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063590

0 1
Br -6.696660 -1.602401 -1.157328
Br -7.146640 4.062853 -0.082426
O -1.848381 2.512348 0.652589
N -1.726007 0.194182 0.213606
N -3.713378 -1.078768 -0.284297
N 4.819675 0.252410 -1.071542
N 4.758850 1.041048 1.069686
C -0.272560 0.285407 0.171310
C -2.411799 -1.028635 -0.018512
C -3.896110 1.350966 0.089490
C -2.447141 1.440996 0.361434
C 2.552350 0.482892 0.043962
C -4.465366 0.090464 -0.283395
C 4.015092 0.597255 0.031236
C 0.444635 0.833638 1.260084
C 0.411349 -0.140518 -0.989231
C -1.692147 -2.333052 0.065691
C 1.844786 0.927107 1.195332
C 1.814470 -0.048974 -1.048480
C 6.154909 0.489680 -0.720325
C 6.094342 0.984595 0.630210
C -4.675956 2.531851 0.157704
C -5.856830 0.068891 -0.614229
C -2.122297 -3.383440 -0.789305
C -0.668168 -2.590323 1.016850
C -6.035598 2.454682 -0.163531
C -6.640065 1.231588 -0.556425
C 7.371248 0.330746 -1.415273
C 7.286776 1.330364 1.308668
C 8.547723 0.682027 -0.718985
C -1.516692 -4.654359 -0.719769
C -0.076119 -3.868010 1.094214
C 8.506266 1.173554 0.620419
C -0.488222 -4.900904 0.220242
H -0.092550 1.192611 2.141280
H -0.151524 -0.546645 -1.835426
H 2.422273 1.344919 2.024975
H 2.318797 -0.400101 -1.956332
H 4.491265 -0.090800 -1.971326
H -4.189239 3.466932 0.447283
H -2.942662 -3.187158 -1.486345
H -0.344508 -1.807822 1.708490
H 7.414432 -0.044692 -2.442979
H -7.702369 1.194233 -0.809419
H 7.247800 1.707249 2.334929
H 9.517079 0.575843 -1.218233
H -1.850823 -5.452734 -1.391035
H 0.704869 -4.056961 1.838385
H 9.445725 1.433910 1.119719
H -0.019501 -5.889545 0.277857


