%chk=000147556.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147556

0 1
 Br  0.9516000      -4.700000      0.1999000    
 O  -0.5774000       2.014100      0.3700000    
 O   -3.825900      -2.171100     -0.3279000    
 N    1.531500      0.4921000      0.5815000    
 C  -0.7678000     -0.3428000      0.2087000    
 C   -1.624600      -1.430100      2.5100000E-02
 C   0.6037000     -0.5575000      0.3903000    
 C   -2.746600       1.248300      2.0600000E-02
 C   -3.603400      0.1609000     -0.1628000    
 C   -1.297500       1.036100      0.2128000    
 C   -3.073800      -1.218000     -0.1671000    
 C   -1.109800      -2.732000      2.2399999E-02
 C    1.112500      -1.856600      0.3873000    
 C   0.2576000      -2.941500      0.2036000    
 C   -3.261200       2.550200      2.2399999E-02
 C   -4.975000      0.3756000     -0.3443000    
 C    2.892600      0.6284000      0.2564000    
 C   -4.628600       2.759700     -0.1588000    
 C   -5.483700       1.674700     -0.3419000    
 C    3.725600       1.426600       1.044300    
 C    3.418200     -3.2299999E-02 -0.8568000    
 C    5.597100      0.9015000     -0.3907000    
 C    5.075700       1.563000      0.7212000    
 C    4.768400      0.1039000      -1.179800    
 C    7.040600       1.046900     -0.7363000    
 H   -1.769600      -3.584800     -0.1201000    
 H    2.169500      -2.046400      0.5581000    
 H    1.151800       1.284600       1.090700    
 H   -2.617700       3.414600      0.1628000    
 H   -5.662600     -0.4534000     -0.4888000    
 H   -5.027300       3.770100     -0.1574000    
 H   -6.547800       1.840700     -0.4828000    
 H    3.331900       1.947200       1.913700    
 H    2.792600     -0.6390000      -1.505900    
 H    5.710900       2.188700       1.342600    
 H    5.161400     -0.4103000      -2.052900    
 H    7.180600       1.892900      -1.416400    
 H    7.646900       1.213500      0.1605000    
 H    7.424500      0.1414000      -1.218400    


%chk=000147556-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000147556

0 1
Br 0.925389 -4.742016 0.050111
O -0.587371 2.129943 0.247045
O -3.935417 -2.247994 -0.150447
N 1.495826 0.584480 0.139775
C -0.794118 -0.272441 0.057959
C -1.671113 -1.405354 -0.018233
C 0.641144 -0.499258 0.079069
C -2.823121 1.267313 0.053825
C -3.701959 0.149805 -0.040997
C -1.345881 1.085090 0.123582
C -3.163600 -1.239661 -0.073568
C -1.172370 -2.720419 -0.047850
C 1.127788 -1.847902 0.085468
C 0.225451 -2.911606 0.022142
C -3.360328 2.578233 0.088251
C -5.102555 0.355871 -0.100812
C 2.913715 0.611228 0.012006
C -4.754160 2.775704 0.025840
C -5.628515 1.662306 -0.068766
C 3.634739 1.555865 0.789651
C 3.626202 -0.200980 -0.910135
C 5.760287 0.848148 -0.242186
C 5.033054 1.669077 0.658973
C 5.027132 -0.083834 -1.020984
C 7.264635 0.987740 -0.392693
H -1.878039 -3.552493 -0.109970
H 2.198725 -2.035802 0.176943
H 0.980864 1.489090 0.263052
H -2.664753 3.419276 0.163662
H -5.751564 -0.522636 -0.171177
H -5.163671 3.791212 0.051083
H -6.711329 1.819077 -0.116078
H 3.093532 2.187098 1.503565
H 3.088670 -0.893005 -1.566163
H 5.570040 2.400932 1.274344
H 5.557792 -0.720077 -1.739592
H 7.520305 1.737204 -1.167112
H 7.737111 1.316876 0.549549
H 7.732362 0.033810 -0.693332


