%chk=000063589.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063589

0 1
 Br  -6.029400     -0.3271000       2.805700    
 Br  -6.625200      -2.452400      -2.408700    
 O   -1.789400     -3.4299999E-02  -2.052000    
 N   -1.502200      0.8019000      0.1315000    
 N    3.497700     -0.5312000      0.7349000    
 N   -3.255800      0.5102000       1.712700    
 N    4.466100      0.5668000     -0.9374000    
 C  -0.2324000       1.386700     -0.2020000    
 C    2.161000       1.207900     -0.3737000    
 C   -2.068500      0.9316000       1.402000    
 C   0.9289000      0.6397000     -4.9800001E-02
 C   -3.525800     -0.3890000     -0.5438000    
 C   -2.184600      0.1206000     -0.8986000    
 C    3.372800      0.4406000     -0.2188000    
 C   -4.014000     -0.1501000      0.7408000    
 C  -0.1817000       2.692700     -0.6731000    
 C    4.754900      -1.067300      0.6246000    
 C    2.221700       2.518500     -0.8473000    
 C    5.339500     -0.3654000     -0.4261000    
 C    1.050300       3.260900     -0.9969000    
 C   -4.300600      -1.074900      -1.486500    
 C   -1.268300       1.541900       2.534500    
 C   -5.293700     -0.6081000       1.075300    
 C    5.411200      -2.075300       1.332000    
 C    6.656200     -0.6743000     -0.8072000    
 C   -5.573500      -1.526300      -1.140200    
 C   -6.070700      -1.292300      0.1396000    
 C    6.721100      -2.369500      0.9394000    
 C    7.334200      -1.682700     -0.1110000    
 H   0.8543000     -0.3843000      0.3090000    
 H   -1.089100       3.278500     -0.7924000    
 H    2.801900     -0.8054000       1.416100    
 H    3.171700       2.981800      -1.102700    
 H    1.097400       4.281700      -1.364900    
 H   -3.918200      -1.256500      -2.488000    
 H  -0.9950000       2.570500       2.284100    
 H  -0.3561000      0.9609000       2.696400    
 H   -1.850100       1.549500       3.460900    
 H    4.933000      -2.607000       2.146800    
 H    7.141500     -0.1465000      -1.622000    
 H   -7.064300      -1.645100      0.4076000    
 H    7.271600      -3.147700       1.462200    
 H    8.353500      -1.933800     -0.3932000    


%chk=000063589-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063589

0 1
Br -6.365748 0.170778 2.691474
Br -6.285296 -3.232282 -1.981932
O -1.430377 -0.488279 -1.673402
N -1.568879 0.925309 0.205978
N 3.382585 -1.011996 0.052249
N -3.481249 0.912776 1.670310
N 4.644195 0.878096 -0.176396
C -0.258449 1.475076 -0.122637
C 2.167538 1.187455 -0.273517
C -2.270085 1.351930 1.358950
C 0.885964 0.672758 0.050148
C -3.459862 -0.534951 -0.338922
C -2.099824 -0.072732 -0.686714
C 3.387839 0.382640 -0.136516
C -4.104717 -0.013221 0.830080
C -0.156091 2.789667 -0.624712
C 4.714901 -1.436631 0.135315
C 2.276510 2.524072 -0.747546
C 5.492312 -0.233544 -0.007460
C 1.123708 3.312019 -0.924222
C -4.090312 -1.487523 -1.178073
C -1.596281 2.332257 2.287305
C -5.421306 -0.488665 1.121488
C 5.306467 -2.704319 0.310616
C 6.904996 -0.297080 0.033878
C -5.379181 -1.919743 -0.848359
C -6.058477 -1.429634 0.297389
C 6.716657 -2.744120 0.346473
C 7.502950 -1.560523 0.211227
H 0.758181 -0.343154 0.439272
H -1.059778 3.385621 -0.789945
H 2.562276 -1.614949 0.042484
H 3.273921 2.909232 -0.979204
H 1.215240 4.333220 -1.307954
H -3.551610 -1.851657 -2.057039
H -1.501893 3.333518 1.830778
H -0.576943 2.004019 2.556727
H -2.213205 2.414095 3.193141
H 4.712944 -3.618370 0.415659
H 7.501538 0.613838 -0.071444
H -7.065249 -1.780086 0.537042
H 7.221336 -3.706969 0.481884
H 8.594655 -1.641547 0.245926


