%chk=000125847.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125847

0 1
 Br   7.844700       1.382300      0.9292000    
 O   -2.434200      9.4999997E-03  -1.172700    
 O  -0.7802000      -2.108400     -0.3749000    
 O    5.676200      -1.249200       1.464600    
 N    1.811400      0.4899000     -0.8319000    
 N    5.407400     -0.4028000     -0.6829000    
 N   -6.488300     -0.7881000      0.9641000    
 C    3.168600      0.6166000     -0.2801000    
 C    3.984300     -0.5928000     -0.7752000    
 C    1.184500     -0.7314000     -0.3598000    
 C    3.761500       1.937300     -0.7901000    
 C    3.074800      0.6395000       1.252600    
 C  -0.2290000     -0.9064000     -0.9202000    
 C   -1.162000      0.2541000     -0.5811000    
 C   -3.525200      0.5115000     -0.5151000    
 C    6.142800     -0.7508000      0.4418000    
 C   -4.552700     -0.3315000     -4.7100000E-02
 C   -5.641000      0.2396000      0.6161000    
 C   -3.624700       1.891400     -0.3034000    
 C   -4.776700      -1.736400     -8.3999999E-02
 C   -5.753700       1.617100      0.8351000    
 C    7.608700     -0.4387000      0.3080000    
 C   -4.722700       2.433600      0.3615000    
 C   -5.974500      -1.986000      0.5456000    
 H    3.791200     -0.7854000      -1.838300    
 H    3.746200      -1.508700     -0.2230000    
 H    1.844100      0.4909000      -1.851100    
 H    1.731200      -1.635500     -0.6466000    
 H    1.087600     -0.7551000      0.7308000    
 H    3.872200       1.932500      -1.880900    
 H    3.116900       2.785100     -0.5274000    
 H    4.745200       2.140200     -0.3538000    
 H    4.014300       1.001300       1.687900    
 H    2.290900       1.324100       1.598800    
 H    2.894900     -0.3460000       1.694400    
 H  -0.1945000      -1.045700      -2.007100    
 H   -1.260400      0.3402000      0.5093000    
 H  -0.7748000       1.198300     -0.9785000    
 H    5.883300      1.6600000E-02  -1.476500    
 H  -0.8595000      -1.992800      0.5875000    
 H   -2.847300       2.560400     -0.6644000    
 H   -4.131800      -2.485400     -0.5229000    
 H   -6.608400       2.040200       1.352200    
 H   -7.362900     -0.6738000       1.457600    
 H    7.955000     -0.4941000     -0.7262000    
 H    8.204300      -1.098000      0.9428000    
 H   -4.780700       3.508400      0.5134000    
 H   -6.505800      -2.908500      0.7326000    


%chk=000125847-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125847

0 1
Br 8.308422 1.682218 -0.602494
O -2.385943 -0.793962 -0.201567
O -0.452231 -3.047439 0.104641
O 5.780174 -0.940366 1.545151
N 1.757603 -0.217703 -1.030982
N 5.563189 0.066528 -0.555903
N -6.927707 0.238706 -0.167415
C 3.036083 0.487552 -0.720880
C 4.244395 -0.510093 -0.860666
C 1.364857 -1.405523 -0.240927
C 3.170321 1.634791 -1.750639
C 2.988978 1.075565 0.709743
C -0.148266 -1.703389 -0.410599
C -0.996820 -0.603173 0.227797
C -3.344939 0.105109 0.291075
C 6.222758 -0.191887 0.615699
C -4.687883 -0.155896 -0.102134
C -5.724668 0.723473 0.360323
C -3.070663 1.212079 1.122219
C -5.305352 -1.176871 -0.917556
C -5.468449 1.839930 1.193640
C 7.596345 0.440013 0.855440
C -4.129414 2.062812 1.561662
C -6.672856 -0.908391 -0.937397
H 4.259139 -0.904633 -1.896249
H 4.100311 -1.355593 -0.165434
H 1.659777 -0.385198 -2.042293
H 1.902279 -2.341857 -0.510427
H 1.579104 -1.206452 0.826483
H 3.188532 1.245303 -2.788158
H 2.313239 2.324350 -1.660582
H 4.096200 2.214310 -1.584416
H 3.860607 1.729919 0.884322
H 2.069763 1.674782 0.831809
H 3.013109 0.289771 1.484752
H -0.400773 -1.770012 -1.484874
H -0.934282 -0.654331 1.338817
H -0.612654 0.380699 -0.107828
H 6.014146 0.683811 -1.236890
H -0.573284 -3.001313 1.087223
H -2.048544 1.439556 1.438229
H -4.798047 -1.999426 -1.415512
H -6.268331 2.502198 1.540594
H -7.843428 0.653957 -0.013369
H 8.353877 -0.351276 0.957321
H 7.567161 1.052532 1.768765
H -3.883492 2.914748 2.205488
H -7.481141 -1.440830 -1.435301


