%chk=000160258.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000160258

0 1
 Br  -1.386100      -5.764700     -0.5111000    
 O   0.2760000      -2.079500     -0.1679000    
 O   -5.376300       1.149000      0.7258000    
 O    6.210500      4.0199999E-02 -0.9241000    
 O   -1.185900      -3.272500       1.153600    
 C   -2.195200      0.7370000      8.2099997E-02
 C   -1.228300       1.782500     -0.5070000    
 C   0.1610000       1.734100      0.1351000    
 C   0.7960000      0.3201000     -9.6100003E-02
 C    2.258900      0.2188000      0.5247000    
 C   -1.618800     -0.6442000     -0.2321000    
 C  -0.1891000     -0.8222000      0.3203000    
 C   -3.472000       1.098700     -0.7088000    
 C   -2.029300       3.079600     -0.4387000    
 C    1.070300       2.828100     -0.4359000    
 C   -3.471500       2.640200     -0.7466000    
 C    3.090800       1.435300      8.2599998E-02
 C   -2.425500      0.8759000       1.608900    
 C    2.442000       2.790900      0.2187000    
 C    2.947700      -1.088200      3.1800002E-02
 C    2.218300      0.1985000       2.070200    
 C   -4.736600      0.5422000     -0.1318000    
 C    4.456300      -1.110200      0.2270000    
 C    4.346600       1.365500     -0.3907000    
 C    5.085800      8.5500002E-02 -0.4307000    
 C   -5.188000     -0.7946000     -0.6545000    
 C  -0.5001000      -3.165100      0.1471000    
 C  -0.3575000      -4.180700     -0.9519000    
 H   -1.088700       1.565600      -1.579600    
 H   6.1999999E-02   1.920500       1.209700    
 H   0.9304000      0.2137000      -1.185200    
 H   -1.602200     -0.8114000      -1.318400    
 H   -2.299300      -1.403400      0.1629000    
 H  -0.2264000     -0.8731000       1.413700    
 H   -3.390600      0.7457000      -1.746200    
 H   -1.678300       3.820100      -1.164500    
 H   -1.970700       3.535700      0.5558000    
 H   0.6298000       3.817000     -0.2636000    
 H    1.171200       2.709100      -1.522500    
 H   -4.160800       3.106300     -3.4899998E-02
 H   -3.769200       2.985500      -1.743800    
 H   -1.500600      0.7954000       2.186000    
 H   -2.883200       1.833200       1.878000    
 H   -3.087500      8.2900003E-02   1.975600    
 H    2.350600       3.038100       1.283500    
 H    3.062900       3.578800     -0.2252000    
 H    2.742000      -1.228000      -1.038500    
 H    2.540400      -1.961400      0.5530000    
 H    3.225100      0.2612000       2.499600    
 H    1.646800       1.034900       2.483700    
 H    1.767600     -0.7251000       2.448300    
 H    4.864500      -2.016700     -0.2338000    
 H    4.730200      -1.114700       1.286700    
 H    4.890500       2.249400     -0.7071000    
 H   -5.253600     -0.7647000      -1.745100    
 H   -4.497900      -1.577800     -0.3383000    
 H   -6.181400      -1.022800     -0.2573000    
 H   0.6830000      -4.495500      -1.053100    
 H  -0.7556000      -3.789800      -1.890300    


%chk=000160258-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000160258

0 1
Br 1.964849 -4.994393 0.597713
O 0.103338 -2.115298 -0.246798
O -5.613032 1.344996 0.528339
O 6.344471 0.066142 -0.839857
O -1.014334 -3.102292 1.560071
C -2.311720 0.845759 0.016514
C -1.269806 1.911463 -0.447496
C 0.117454 1.730916 0.202870
C 0.708929 0.326723 -0.202136
C 2.191554 0.072875 0.322398
C -1.747021 -0.537670 -0.374405
C -0.332715 -0.746929 0.224400
C -3.569593 1.338833 -0.812803
C -2.022822 3.253005 -0.298120
C 1.077014 2.869557 -0.193829
C -3.490488 2.900026 -0.714451
C 3.057552 1.344398 0.156660
C -2.622738 0.905677 1.536671
C 2.440950 2.684917 0.499961
C 2.845413 -1.072134 -0.518582
C 2.185434 -0.296568 1.841996
C -4.905980 0.758915 -0.336576
C 4.355672 -1.251492 -0.269421
C 4.372791 1.291456 -0.233514
C 5.123560 0.046137 -0.491048
C -5.351685 -0.559850 -0.956701
C -0.331599 -3.196471 0.513885
C 0.127140 -4.502294 -0.104600
H -1.127259 1.743806 -1.540884
H 0.009151 1.769369 1.308039
H 0.762991 0.321262 -1.313601
H -1.674671 -0.621147 -1.477766
H -2.394654 -1.355829 -0.007810
H -0.404293 -0.805172 1.325214
H -3.408066 1.009818 -1.860166
H -1.596459 4.049462 -0.932544
H -1.983103 3.611396 0.748060
H 0.640613 3.842732 0.097892
H 1.210777 2.887565 -1.294792
H -4.225182 3.257951 0.027022
H -3.754571 3.356287 -1.684962
H -1.710224 0.840318 2.153643
H -3.152846 1.832635 1.811265
H -3.274539 0.062980 1.829497
H 2.281438 2.745809 1.598378
H 3.138228 3.499655 0.234392
H 2.689513 -0.842106 -1.592212
H 2.329183 -2.022092 -0.321789
H 3.213929 -0.335817 2.240186
H 1.627617 0.444283 2.443682
H 1.727821 -1.288256 2.006450
H 4.778863 -2.032879 -0.925530
H 4.543198 -1.586811 0.771535
H 4.953434 2.218259 -0.333158
H -5.660467 -0.385664 -2.006532
H -4.524046 -1.291659 -0.985354
H -6.205689 -0.976858 -0.400650
H 0.236531 -4.430968 -1.194764
H -0.528807 -5.325834 0.205215


