%chk=000104243.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104243

0 1
 Br  -2.019800       2.435300      0.5993000    
 Br  -2.321000      -3.294900      9.7499996E-02
 O    2.959800       3.359800     -7.1199998E-02
 O   -7.220500      -1.222700     -0.1670000    
 O   -7.105800      0.9612000      2.3900000E-02
 N    5.121400     -0.8330000     -0.2208000    
 N    1.131300       1.898900     -0.3510000    
 N  -0.4461000     -0.4298000     -0.6842000    
 N  -0.9740000     -0.5015000      0.4495000    
 N   -6.558400     -0.1670000     -2.1100000E-02
 C    3.719800     -0.7256000     -0.3378000    
 C    5.764500      -2.130800     -0.2702000    
 C    5.937700      0.3543000     -6.3699998E-02
 C    3.110000      0.5280000     -0.2880000    
 C    2.943500      -1.872800     -0.5022000    
 C    1.723900      0.6342000     -0.4026000    
 C    5.670200      -2.812200       1.081400    
 C    6.087700      0.6941000       1.406600    
 C   0.9477000     -0.5131000     -0.5670000    
 C    1.557500      -1.766600     -0.6168000    
 C    1.759000       3.140000     -0.1928000    
 C   -2.371900     -0.4178000      0.3315000    
 C   0.7624000       4.272000     -0.1882000    
 C   -3.001400      0.8256000      0.3784000    
 C   -3.127700      -1.577900      0.1677000    
 C   -5.145700     -0.2516000      9.7199999E-02
 C   -4.388900      0.9086000      0.2610000    
 C   -4.515200      -1.494800      5.0600000E-02
 H    6.828800      -2.016500     -0.5130000    
 H    5.372800      -2.764100      -1.074100    
 H    5.599700       1.210100     -0.6569000    
 H    6.943900      0.1604000     -0.4588000    
 H    3.716300       1.399100     -0.1290000    
 H    3.354000      -2.875100     -0.5506000    
 H    6.116200      -3.810800       1.024100    
 H    4.641100      -2.929500       1.431900    
 H    6.216100      -2.258600       1.850300    
 H    6.650900       1.626700       1.517400    
 H    6.637600     -8.1699997E-02   1.946200    
 H    5.120000      0.8264000       1.900200    
 H   0.9631000      -2.667000     -0.7477000    
 H   0.1176000       1.901500     -0.4401000    
 H   0.3155000       4.362800      0.8041000    
 H    1.283600       5.206200     -0.4202000    
 H  -5.2000000E-03   4.123200     -0.9515000    
 H   -4.864400       1.886400      0.2995000    
 H   -5.090100      -2.409600     -7.6600000E-02


%chk=000104243-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000104243

0 1
Br -2.707827 -2.045890 2.840450
Br -2.232969 0.910169 -2.259899
O 3.184507 3.272496 -1.161826
O -7.402486 0.395571 -0.987518
O -7.626575 -0.787055 0.956781
N 5.155433 -1.043814 -0.039642
N 1.301491 1.964431 -0.664277
N -0.374185 0.052764 0.070644
N -1.242990 -0.866481 0.447004
N -6.910679 -0.241888 0.026370
C 3.791973 -0.793401 0.020333
C 5.719139 -2.357276 0.360521
C 6.114361 0.024032 -0.426541
C 3.272615 0.493795 -0.336945
C 2.863346 -1.827624 0.427301
C 1.890812 0.735036 -0.313254
C 5.879332 -2.538917 1.888254
C 6.450177 1.020153 0.707683
C 0.967682 -0.309647 0.079184
C 1.495403 -1.585046 0.444395
C 1.925645 3.146905 -1.062204
C -2.607465 -0.568871 0.313768
C 0.972587 4.299593 -1.356782
C -3.489550 -1.136076 1.298425
C -3.248309 0.121246 -0.773442
C -5.445512 -0.353700 0.128594
C -4.881439 -1.036407 1.229827
C -4.642172 0.223554 -0.878091
H 6.706311 -2.451509 -0.125473
H 5.090978 -3.165586 -0.056552
H 5.713024 0.569300 -1.299948
H 7.039305 -0.475417 -0.765772
H 3.917672 1.318859 -0.634868
H 3.227798 -2.811904 0.728771
H 6.292262 -3.540573 2.107453
H 4.910984 -2.444170 2.409154
H 6.566959 -1.785066 2.308599
H 7.149292 1.788967 0.331838
H 6.926421 0.510000 1.563063
H 5.545259 1.535686 1.070614
H 0.787198 -2.360882 0.751721
H 0.272270 1.931435 -0.601066
H 1.078159 5.067664 -0.569571
H 1.263408 4.768677 -2.311243
H -0.085603 3.992505 -1.410964
H -5.533960 -1.462028 1.994862
H -5.122581 0.736187 -1.714531


