%chk=000053273.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053273

0 1
 Br   1.032300       2.172900      -4.910900    
 O  -0.3803000     -0.2313000       2.290600    
 O   -5.819200     -0.8593000       1.224600    
 N   -1.242000       1.142800      0.5828000    
 N   -3.582400      0.8424000      0.7749000    
 C   0.8281000      5.2999998E-03  0.1318000    
 C   0.3451000      0.8633000      -1.037300    
 C  -0.3256000      0.2632000       1.172100    
 C  -0.8568000       1.495300     -0.7141000    
 C   -2.437400       1.625900       1.234100    
 C   0.8842000      -1.446400     -0.2099000    
 C    2.126900      0.4810000      0.6924000    
 C   0.9198000       1.052900      -2.288000    
 C   -3.412400     -0.5775000       1.113100    
 C   -4.831200       1.352600       1.357800    
 C   -1.509800       2.329200      -1.607500    
 C    1.713300      -2.300900      0.5156000    
 C    3.290400      0.3869000     -7.0000000E-02
 C   0.1080000      -1.946400      -1.254900    
 C    2.175400       1.018200       1.978300    
 C   -4.624100      -1.372200      0.6347000    
 C   -6.009800      0.5121000      0.8749000    
 C   0.2742000       1.890400      -3.200900    
 C  -0.9311000       2.524300      -2.862600    
 C    1.766500      -3.657500      0.1957000    
 C    4.504500      0.8305000      0.4543000    
 C   0.1610000      -3.303000      -1.574800    
 C    3.389400       1.461900       2.502600    
 C   0.9903000      -4.158700     -0.8494000    
 C    4.554100       1.368300       1.740500    
 C    1.046700      -5.609200      -1.191700    
 C    5.851900       1.842900       2.301400    
 H   -2.559000       2.690400       1.002500    
 H   -2.309600       1.539600       2.320600    
 H    1.838000      0.5493000      -2.567200    
 H   -3.298100     -0.7045000       2.197400    
 H   -2.542600      -1.016900      0.6167000    
 H   -4.991600       2.394900       1.059400    
 H   -4.781800       1.315900       2.453900    
 H   -2.444200       2.820900      -1.361900    
 H    2.307800      -1.966900       1.360600    
 H    3.295800     -5.2400000E-02  -1.062000    
 H  -0.5808000      -1.334400      -1.828100    
 H    1.321900       1.174300       2.623400    
 H   -4.716700      -1.351000     -0.4581000    
 H   -4.526900      -2.419500      0.9383000    
 H   -6.932400      0.8529000       1.355500    
 H   -6.149800      0.5972000     -0.2097000    
 H   -1.432200       3.175100      -3.575500    
 H    2.408900      -4.316300      0.7740000    
 H    5.406500      0.7446000     -0.1458000    
 H  -0.4554000      -3.683900      -2.384800    
 H    3.415500       1.886700       3.502700    
 H    2.030600      -6.031800     -0.9614000    
 H   0.2879000      -6.158400     -0.6256000    
 H   0.8718000      -5.769500      -2.261000    
 H    6.347400       1.030000       2.841300    
 H    6.520200       2.195800       1.508500    
 H    5.701200       2.681500       2.989600    


%chk=000053273-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000053273

0 1
Br 0.929359 2.752850 -4.613761
O -0.171694 -0.337868 2.523580
O -6.178956 -0.737829 0.617878
N -1.247721 0.909660 0.829702
N -3.666318 0.670002 0.901534
C 0.916041 0.017232 0.255187
C 0.356636 0.928674 -0.841923
C -0.188329 0.150752 1.366177
C -0.929835 1.393216 -0.466699
C -2.470086 1.218050 1.572304
C 0.933490 -1.481637 -0.144752
C 2.292681 0.513387 0.741455
C 0.923032 1.327134 -2.061331
C -3.713463 -0.817492 0.915042
C -4.928950 1.245456 1.433297
C -1.694156 2.225889 -1.302988
C 1.408498 -2.432040 0.798163
C 3.472818 0.070630 0.094165
C 0.455675 -1.948875 -1.390929
C 2.411548 1.487035 1.762990
C -4.919396 -1.297735 0.094240
C -6.114440 0.731361 0.598209
C 0.161543 2.178092 -2.896535
C -1.129295 2.622934 -2.540345
C 1.414312 -3.805338 0.491770
C 4.733668 0.586841 0.459791
C 0.467003 -3.331215 -1.693268
C 3.675200 1.998149 2.127324
C 0.946509 -4.283564 -0.762624
C 4.860333 1.559259 1.484271
C 0.963851 -5.767712 -1.084662
C 6.221068 2.090294 1.900501
H -2.595970 2.316599 1.641234
H -2.308713 0.811833 2.597765
H 1.924476 0.998380 -2.352424
H -3.792715 -1.207929 1.958866
H -2.782269 -1.214057 0.471363
H -4.881770 2.350208 1.369156
H -5.092457 0.967668 2.503975
H -2.703328 2.537896 -1.024315
H 1.759841 -2.085159 1.775435
H 3.406153 -0.694018 -0.688408
H 0.077175 -1.241380 -2.135666
H 1.518868 1.842496 2.289204
H -4.790728 -0.997782 -0.967890
H -5.034066 -2.391790 0.160504
H -7.074404 1.075587 1.017002
H -6.011591 1.089439 -0.449296
H -1.694157 3.269896 -3.217475
H 1.785163 -4.520976 1.236120
H 5.632896 0.228892 -0.056496
H 0.097197 -3.669701 -2.668774
H 3.743347 2.748508 2.924678
H 1.992299 -6.174031 -1.049745
H 0.363622 -6.344054 -0.355692
H 0.557007 -5.968743 -2.090599
H 6.637313 1.502366 2.741737
H 6.947747 2.036452 1.070958
H 6.160839 3.141306 2.234520


