%chk=000154141.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154141

0 1
 Br   5.179800       2.794900      0.6429000    
 O   -2.280300      -2.630100     -0.7162000    
 O   -4.434700      -2.189900       1.843300    
 O   -5.415500       1.606100      -1.408700    
 O   -1.224500       3.590700      0.8408000    
 N   -3.702300     -0.2738000     -0.1302000    
 N    1.891800     -0.3712000     -0.1483000    
 N   0.4992000       2.031800      0.4494000    
 N    2.530600      -1.509500     -0.4308000    
 N    2.600400      0.7270000      0.1257000    
 N    7.413600      -1.878400     -0.5169000    
 C   -2.290600     -0.3022000     -0.1356000    
 C   -4.423100      8.5400000E-02   1.073800    
 C   -4.445600     -0.5901000      -1.332800    
 C   -1.605200      -1.481100     -0.4289000    
 C   -1.581100      0.8629000      0.1557000    
 C   0.4991000     -0.3298000     -0.1397000    
 C  -0.1864000      0.8493000      0.1535000    
 C  -0.2102000      -1.495300     -0.4307000    
 C   -4.058800     -0.8659000       2.200900    
 C   -4.656000      0.6670000      -2.159500    
 C    3.819100      -1.142000     -0.3381000    
 C    3.863700      0.2839000      1.6600000E-02
 C    4.986700      -1.904700     -0.5269000    
 C    5.076700      0.9761000      0.1897000    
 C  -3.9099999E-02   3.284900      0.7621000    
 C   -1.497100      -3.786200      -1.003800    
 C    6.184000      -1.188100     -0.3476000    
 C    6.227100      0.1898000     -4.8000002E-03
 C   -4.118500      -3.117200       2.872500    
 C   -5.643800       2.799400      -2.145400    
 C    1.040600       4.306200       1.018100    
 H   -5.505100      3.0999999E-02  0.9032000    
 H   -4.202100       1.118300       1.365600    
 H   -5.418800      -1.019300      -1.064600    
 H   -3.941200      -1.337900      -1.952700    
 H   -2.171300       1.744200      0.3583000    
 H   0.3456000      -2.397500     -0.6547000    
 H   -2.987900     -0.8313000       2.432100    
 H   -4.606600     -0.5709000       3.103900    
 H   -3.692900       1.111900      -2.437300    
 H   -5.199300      0.4112000      -3.076600    
 H    1.510800       1.995300      0.4408000    
 H    4.962700      -2.955600     -0.7882000    
 H  -0.8956000      -3.654100      -1.909700    
 H  -0.8983000      -4.095600     -0.1402000    
 H   -2.197200      -4.603200      -1.208600    
 H    7.204300      0.6606000      0.1135000    
 H   -4.432700      -4.112400       2.546800    
 H   -4.652700      -2.866000       3.793900    
 H   -3.039500      -3.134600       3.053900    
 H   -6.230800       3.480500      -1.523600    
 H   -6.208400       2.585400      -3.058000    
 H   -4.694600       3.284200      -2.393500    
 H    1.670400       4.410700      0.1301000    
 H    1.654300       3.991100       1.866700    
 H   0.5878000       5.274800       1.247500    
 H    8.289300      -1.387300     -0.3959000    
 H    7.411000      -2.859400     -0.7629000    


%chk=000154141-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000154141

0 1
Br 5.712170 2.046507 1.881786
O -2.067087 -1.938701 -1.950395
O -5.338512 -0.444187 2.305225
O -5.943092 0.121128 -1.890190
O -0.965639 2.616513 2.709236
N -3.500868 -0.210698 -0.117865
N 2.199403 -0.260209 -0.265057
N 0.774890 1.551215 1.523032
N 2.857432 -1.136305 -1.116158
N 3.014565 0.558040 0.502942
N 7.791714 -1.496384 -1.550300
C -2.106410 -0.251439 -0.172652
C -4.184239 0.876347 0.622181
C -4.404186 -1.276072 -0.620078
C -1.343792 -1.114641 -1.056490
C -1.345579 0.626921 0.654330
C 0.780093 -0.212462 -0.198510
C 0.064885 0.673030 0.668564
C 0.054209 -1.085524 -1.046679
C -4.349574 0.629820 2.131812
C -4.994358 -0.996049 -2.007951
C 4.194106 -0.859828 -0.876779
C 4.284758 0.185168 0.122449
C 5.345357 -1.443754 -1.456638
C 5.561121 0.636472 0.532517
C 0.270547 2.443771 2.464340
C -1.294053 -2.770400 -2.873741
C 6.607019 -0.973451 -1.028566
C 6.704988 0.070420 -0.030154
C -5.540963 -0.782798 3.711291
C -6.518451 0.495783 -3.177749
C 1.360273 3.219128 3.204240
H -5.184024 0.993300 0.171297
H -3.642694 1.827179 0.470664
H -5.225418 -1.372446 0.111761
H -3.864208 -2.232425 -0.657513
H -1.840783 1.304981 1.346134
H 0.639502 -1.724449 -1.709632
H -3.389909 0.344615 2.610180
H -4.714131 1.564110 2.615087
H -4.187152 -0.747750 -2.726840
H -5.529155 -1.905166 -2.369057
H 1.810111 1.473076 1.412229
H 5.254813 -2.232041 -2.209395
H -0.661094 -2.150743 -3.538415
H -0.657740 -3.494168 -2.328481
H -2.044669 -3.310705 -3.470062
H 7.694920 0.416935 0.284532
H -6.295321 -1.585375 3.733341
H -5.914994 0.089371 4.289486
H -4.602336 -1.144456 4.182990
H -7.205959 1.333843 -2.981223
H -7.086749 -0.345838 -3.630377
H -5.735537 0.822089 -3.895766
H 1.998928 3.781202 2.498376
H 2.015588 2.534197 3.773489
H 0.882599 3.923077 3.900720
H 8.696229 -1.155288 -1.240114
H 7.769255 -2.230486 -2.251505


