%chk=000050189.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050189

0 1
 Br  -4.997700      -1.908400      -2.126600    
 O    4.071700      -2.283100      3.5000000E-02
 O   -1.437900       1.039600       1.767000    
 O   -3.774400       2.209200      0.8599000    
 N   0.5024000      -1.241900      6.1000001E-02
 C    1.719000      -1.901900      0.5510000    
 C    2.892000      -1.608900     -0.4115000    
 C  -0.6270000      -1.553800      0.9196000    
 C    1.986800      -1.403300       1.972300    
 C    3.241300     -0.1396000     -0.5149000    
 C   -1.894100     -0.8967000      0.4405000    
 C    2.616300      0.6370000      -1.474900    
 C    4.177500      0.3948000      0.3530000    
 C   -2.238700      0.3715000      0.8885000    
 C   -2.705800      -1.581700     -0.4545000    
 C   -3.416100      0.9657000      0.4340000    
 C    2.937800       1.990900      -1.570200    
 C    4.498900       1.748700      0.2577000    
 C   -3.883200     -0.9876000     -0.9091000    
 C    3.879000       2.546700     -0.7039000    
 C   -4.238300      0.2862000     -0.4649000    
 C   -3.309400       3.316600      9.0999998E-02
 H    1.578800      -2.990500      0.5870000    
 H    2.671200      -2.002400      -1.412000    
 H   0.3106000      -1.560400     -0.8890000    
 H  -0.4815000      -1.236600       1.956800    
 H  -0.7856000      -2.640100      0.9620000    
 H    3.003700      -1.657600       2.291700    
 H    1.870900     -0.3180000       2.072400    
 H    1.331500      -1.886500       2.705200    
 H    1.885800      0.2140000      -2.158300    
 H    4.671000     -0.1972000       1.117400    
 H    3.863900      -3.231700      8.5699998E-02
 H   -2.424200      -2.573500     -0.8001000    
 H    2.455900       2.612200      -2.319600    
 H    5.230200       2.182500      0.9334000    
 H    4.129100       3.601000     -0.7778000    
 H   -5.154800      0.7570000     -0.8132000    
 H   -1.863100       1.884000       1.995400    
 H   -3.640000       4.236600      0.5807000    
 H   -3.733600       3.285100     -0.9176000    
 H   -2.216000       3.322100      3.7700001E-02


%chk=000050189-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050189

0 1
Br -5.146025 -2.191171 -1.973361
O 3.970621 -2.511885 -0.307630
O -1.357301 1.368631 1.341134
O -3.474547 2.496764 0.187862
N 0.497442 -1.234906 0.197229
C 1.768151 -1.863662 0.630911
C 2.875645 -1.533450 -0.428575
C -0.676807 -1.432299 1.084971
C 2.175203 -1.443041 2.054610
C 3.494168 -0.139785 -0.325431
C -1.916467 -0.827032 0.451555
C 2.667429 1.014517 -0.333332
C 4.899867 0.018494 -0.249234
C -2.195444 0.550616 0.581407
C -2.805810 -1.633377 -0.308101
C -3.343309 1.114294 -0.047522
C 3.243408 2.302756 -0.269372
C 5.472279 1.309970 -0.185958
C -3.929575 -1.056250 -0.923532
C 4.647931 2.457897 -0.198715
C -4.222104 0.320243 -0.809047
C -4.622364 3.186377 -0.406782
H 1.675381 -2.987718 0.628206
H 2.403703 -1.642365 -1.435188
H 0.265033 -1.487827 -0.774998
H -0.471938 -0.928777 2.044684
H -0.870847 -2.512327 1.303143
H 3.212046 -1.770996 2.246989
H 2.128551 -0.346807 2.165258
H 1.524804 -1.905343 2.818293
H 1.579314 0.888610 -0.356172
H 5.530158 -0.874318 -0.242956
H 3.583917 -3.422342 -0.356424
H -2.610435 -2.705926 -0.402805
H 2.593663 3.185866 -0.272179
H 6.561911 1.417658 -0.129545
H 5.092570 3.458968 -0.153446
H -5.103786 0.744483 -1.294524
H -1.719425 2.294774 1.320042
H -4.523897 4.237248 -0.099207
H -5.573218 2.769619 -0.023909
H -4.595993 3.113822 -1.510549


