%chk=000063635.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063635

0 1
 Br  -4.711500      -5.563400     -0.1781000    
 O    1.725500       1.918600      -1.616900    
 O   -4.079700       1.179400      0.3350000    
 N    4.559700     -0.4224000      0.2483000    
 N   1.3700000E-02   1.222500     -0.1673000    
 N   -2.091800     -4.6799999E-02  0.1682000    
 C    4.460500      -1.654700     -0.5465000    
 C    5.940300      8.0499999E-02  0.2786000    
 C    5.365100      -2.750300      1.9300001E-02
 C    6.893300     -0.9586000      0.8716000    
 C    6.812000      -2.280100      0.1162000    
 C    3.654400      0.5993000     -0.2769000    
 C    2.224500      0.1049000     -0.1899000    
 C    1.303300       1.178400     -0.7253000    
 C  -0.6456000      2.4000000E-02  0.3637000    
 C  -0.7190000       2.443000     -1.8300001E-02
 C   -2.100900       2.404000      0.2248000    
 C   -2.855400       1.123900      0.2411000    
 C   -2.710100      -1.348700      8.6499996E-02
 C  -9.0999998E-02   3.700800     -5.9300002E-02
 C   -2.825900       3.596300      0.4011000    
 C  -0.8168000       4.881700      0.1174000    
 C   -2.184400       4.829900      0.3459000    
 C   -3.950900      -1.486800     -0.5279000    
 C   -2.060900      -2.456700      0.6226000    
 C   -4.548300      -2.744800     -0.6067000    
 C   -2.658100      -3.714800      0.5437000    
 C   -3.902000      -3.858800     -7.1099997E-02
 H    4.717100      -1.468300      -1.597600    
 H    3.456100      -2.084400     -0.5207000    
 H    6.278200      0.3561000     -0.7291000    
 H    5.993700      0.9837000      0.8984000    
 H    5.009500      -3.044100       1.015300    
 H    5.309600      -3.642100     -0.6155000    
 H    7.920600     -0.5784000      0.8417000    
 H    6.644400      -1.125200       1.927400    
 H    7.223200      -2.151100     -0.8925000    
 H    7.421700      -3.039000      0.6185000    
 H    3.924500      0.8557000      -1.310000    
 H    3.748200       1.518900      0.3158000    
 H    2.027400     -0.7676000     -0.8185000    
 H    1.970000     -0.1341000      0.8482000    
 H  -0.4414000     -1.3200000E-02   1.441000    
 H  -0.1796000     -0.8375000     -0.1242000    
 H   0.9823000       3.791800     -0.2028000    
 H   -3.898300       3.586000      0.5800000    
 H  -0.3070000       5.840200      8.3400004E-02
 H   -2.750400       5.746000      0.4840000    
 H   -4.465800     -0.6620000      -1.008700    
 H   -1.106200      -2.385700       1.134700    
 H   -5.512200      -2.842600      -1.099800    
 H   -2.144400      -4.571900      0.9716000    


%chk=000063635-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063635

0 1
Br -2.773701 -5.903044 -0.406670
O 1.885461 2.744304 -0.521156
O -3.912302 0.943385 -0.539181
N 4.324010 -0.691843 0.079987
N -0.009648 1.786263 0.451477
N -1.860604 0.205816 0.356988
C 3.974545 -1.894527 -0.722567
C 5.788965 -0.432139 0.037926
C 4.710604 -3.146407 -0.203019
C 6.581483 -1.634842 0.588112
C 6.239576 -2.921216 -0.197640
C 3.538800 0.505462 -0.308648
C 2.098035 0.427347 0.237985
C 1.337829 1.739832 0.016752
C -0.680913 0.666489 1.131157
C -0.883032 2.908857 0.249597
C -2.272732 2.611298 0.100158
C -2.773557 1.207325 -0.049754
C -2.105395 -1.199138 0.191459
C -0.440970 4.254011 0.216150
C -3.203929 3.668299 -0.046154
C -1.387203 5.290475 0.072179
C -2.769532 5.006320 -0.050596
C -2.796262 -1.688239 -0.949975
C -1.636404 -2.124471 1.161229
C -2.995933 -3.072492 -1.122759
C -1.825366 -3.512713 0.987213
C -2.502844 -3.974903 -0.157184
H 4.232007 -1.736562 -1.804409
H 2.882482 -2.059469 -0.670053
H 6.131866 -0.217874 -1.009343
H 5.997549 0.469506 0.643546
H 4.364752 -3.360269 0.826917
H 4.444932 -4.016197 -0.834101
H 7.665390 -1.417305 0.530678
H 6.321986 -1.772981 1.655714
H 6.600114 -2.820750 -1.242525
H 6.759069 -3.794339 0.240368
H 3.513162 0.661812 -1.414193
H 4.025058 1.399365 0.119592
H 1.549407 -0.407219 -0.240609
H 2.165076 0.188762 1.318474
H -1.003028 1.010435 2.135087
H 0.013787 -0.171517 1.247777
H 0.623296 4.475642 0.293305
H -4.257347 3.404021 -0.182706
H -1.039406 6.329255 0.058621
H -3.492667 5.820670 -0.160684
H -3.188099 -0.989479 -1.690296
H -1.149545 -1.779834 2.079632
H -3.526150 -3.439110 -2.006151
H -1.461469 -4.214570 1.742699


