%chk=000173657.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173657

0 1
 Br  -1.265200       3.232800     -0.7531000    
 O    6.159200      8.6300001E-02  0.3397000    
 O    4.774400       2.421800     -0.2420000    
 O   -4.559300      -1.542500      0.9574000    
 O   -5.770100      0.6588000     -0.2313000    
 N  -1.6899999E-02  -1.391500     -0.8545000    
 C   0.5449000     -5.2400000E-02 -0.5697000    
 C    2.047300     -3.1399999E-02 -0.3387000    
 C   0.5261000      -2.415300      4.6799999E-02
 C    2.049800      -2.543200     -1.4100000E-02
 C    2.750800      -1.210500     -3.4200002E-02
 C  -0.1912000      0.5616000      0.6321000    
 C   0.1325000      -1.761800      -2.262200    
 C    2.746200       1.184700     -0.4039000    
 C   -1.669300      0.6172000      0.3894000    
 C    4.134400      -1.156200      0.1878000    
 C    4.120900       1.228700     -0.1733000    
 C    4.814500      5.9000000E-02  0.1230000    
 C   -2.436900     -0.4776000      0.7799000    
 C   -2.272700       1.721800     -0.2067000    
 C   -3.816300     -0.4673000      0.5729000    
 C   -3.652000       1.732000     -0.4137000    
 C   -4.423800      0.6374000     -2.3900000E-02
 C    6.595900      0.2925000       1.681900    
 C   -4.744600      -2.579500     -3.8999999E-03
 C   -6.578500       1.194700      0.8143000    
 H   0.3455000      0.5849000      -1.442800    
 H   6.6299997E-02  -3.388900     -0.1654000    
 H   0.2342000      -2.187700       1.078900    
 H    2.339400      -3.097200     -0.9156000    
 H    2.388100      -3.124800      0.8521000    
 H   0.2047000       1.552700      0.8817000    
 H   4.9000001E-03 -1.4300000E-02   1.547800    
 H    1.175800      -1.786500      -2.593600    
 H  -0.4086000      -1.053200      -2.899400    
 H  -0.3119000      -2.745500      -2.450200    
 H    2.214000       2.104600     -0.6361000    
 H    4.683900      -2.069400      0.4059000    
 H   -1.983700      -1.337800       1.264500    
 H   -4.136600       2.587300     -0.8789000    
 H    5.723300       2.263900     -9.8600000E-02
 H    7.688800      0.3276000       1.684900    
 H    6.270400     -0.5353000       2.319800    
 H    6.214100       1.240400       2.074100    
 H   -5.264300      -2.196900     -0.8880000    
 H   -5.357500      -3.362600      0.4506000    
 H   -3.780900      -3.011700     -0.2920000    
 H   -6.454600      0.6137000       1.733700    
 H   -7.624900       1.136400      0.5023000    
 H   -6.325000       2.244000      0.9954000    


%chk=000173657-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000173657

0 1
Br -1.153064 3.310528 -0.663762
O 6.190072 0.858111 0.527537
O 4.521891 2.852417 -0.129086
O -4.801486 -1.491865 0.748114
O -5.882761 0.907517 -0.543243
N 0.170401 -1.592579 -0.488491
C 0.570583 -0.170965 -0.327335
C 2.082096 0.025074 -0.099446
C 0.847906 -2.480541 0.485094
C 2.389125 -2.484964 0.322723
C 2.932617 -1.062982 0.232814
C -0.259806 0.506325 0.822637
C 0.223166 -2.076513 -1.883691
C 2.627017 1.331337 -0.215347
C -1.728315 0.638654 0.476669
C 4.317308 -0.824799 0.452552
C 3.992309 1.562189 -0.003466
C 4.843570 0.471706 0.338080
C -2.619620 -0.431036 0.755561
C -2.288424 1.768383 -0.173019
C -3.986099 -0.381493 0.421760
C -3.656650 1.861306 -0.496568
C -4.520299 0.789801 -0.186906
C 7.150617 -0.187620 0.876386
C -5.377655 -2.188269 -0.426678
C -6.823440 0.876335 0.603249
H 0.295031 0.352775 -1.263604
H 0.442211 -3.502887 0.370803
H 0.591254 -2.139054 1.506519
H 2.660525 -3.047460 -0.594725
H 2.856922 -3.024973 1.169389
H 0.178673 1.497977 1.026739
H -0.140829 -0.096020 1.741670
H 1.237463 -2.043731 -2.349255
H -0.453893 -1.464918 -2.506422
H -0.135316 -3.121744 -1.919225
H 1.990761 2.182758 -0.482638
H 4.966026 -1.669219 0.711198
H -2.231338 -1.342579 1.218248
H -4.076019 2.750064 -0.974872
H 5.497297 2.807873 0.056517
H 8.120063 0.322555 0.974561
H 7.208644 -0.953580 0.079137
H 6.880997 -0.668501 1.836417
H -5.981643 -1.495201 -1.040033
H -6.009678 -2.988671 -0.012552
H -4.568234 -2.626135 -1.041126
H -6.702309 -0.053922 1.186448
H -7.828268 0.927852 0.157278
H -6.653898 1.754484 1.254490


