%chk=000104656.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104656

0 1
 Br  -2.599400       2.220600      -2.461400    
 O    3.072700       2.813100     -0.3833000    
 O    2.933200      -3.689900     -0.5926000    
 O   -2.150800      -1.766900       1.952500    
 O   -2.403600      8.4200002E-02   3.105000    
 O   -7.416600     -0.4645000      0.7955000    
 O   -7.508400      0.6860000      -1.071800    
 N    4.828300      0.6145000     -0.4050000    
 N    1.005700      -2.333100     -0.6044000    
 N  -0.7271000     -9.2100002E-02 -0.5787000    
 N   -1.285700      0.8519000      2.6400000E-02
 N   -2.589200     -0.5989000       2.070800    
 N   -6.859100      0.1834000     -0.1231000    
 N    7.655100       1.401100       1.834300    
 C    3.427600      0.4412000     -0.4485000    
 C    1.516400      -1.033400     -0.5483000    
 C    2.575000       1.545300     -0.4362000    
 C    2.898200     -0.8481000     -0.5045000    
 C   0.6638000      7.0699997E-02 -0.5357000    
 C    1.193000       1.360100     -0.4794000    
 C    5.745600     -0.4816000     -0.4155000    
 C    7.186300      1.4500000E-02 -0.3517000    
 C   -2.680900      0.6883000     -1.7200001E-02
 C   -3.322700     -2.8100001E-02  0.9930000    
 C    1.716100      -3.539100     -0.6242000    
 C   -3.423400       1.237300      -1.062600    
 C   -4.707200     -0.1958000      0.9579000    
 C   -5.449700      0.3537000     -8.7300003E-02
 C   -4.807800       1.070200      -1.097700    
 C    3.275600       3.375200      0.9113000    
 C   0.7921000      -4.729300     -0.6881000    
 C    7.447100      0.7893000      0.8705000    
 H    3.584100      -1.677700     -0.5141000    
 H    5.173700       1.567800     -0.4241000    
 H   0.5631000       2.246800     -0.4922000    
 H    5.631600      -1.070600      -1.333700    
 H    5.565200      -1.141500      0.4427000    
 H  -9.8999999E-03  -2.396200     -0.6342000    
 H    7.404200      0.6377000      -1.227400    
 H    7.866300     -0.8440000     -0.3923000    
 H   -5.188000     -0.7583000       1.755800    
 H   -5.371400       1.505200      -1.920200    
 H    3.704100       4.373600      0.7878000    
 H    3.972200       2.766000       1.495900    
 H    2.322300       3.467000       1.441400    
 H   0.1804000      -4.675400      -1.593000    
 H   0.1428000      -4.741200      0.1920000    
 H    1.377600      -5.652500     -0.7102000    


%chk=000104656-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000104656

0 1
Br -2.946255 3.514993 -1.119385
O 3.613949 2.684032 0.047599
O 2.708924 -3.803174 -0.331408
O -2.323197 -2.651426 0.301965
O -1.868602 -1.297263 2.086677
O -7.365120 -1.084878 0.277809
O -7.710729 1.045204 -0.480670
N 5.022943 0.471151 -0.084144
N 0.933344 -2.268982 -0.269145
N -0.539438 -0.030024 -0.179903
N -1.307170 1.058659 -0.180239
N -2.398522 -1.523224 0.936723
N -6.941356 0.078843 -0.097177
N 8.310492 1.773914 1.145216
C 3.659842 0.307821 -0.097237
C 1.625784 -1.052900 -0.201199
C 2.848007 1.515620 -0.035047
C 3.032400 -0.961547 -0.170099
C 0.824168 0.157216 -0.146190
C 1.466274 1.437824 -0.056783
C 5.986718 -0.633148 -0.090333
C 7.400576 -0.134967 -0.481523
C -2.673462 0.779748 -0.099759
C -3.251675 -0.460692 0.350312
C 1.463326 -3.568246 -0.324763
C -3.610426 1.791515 -0.495643
C -4.625638 -0.716281 0.334551
C -5.487074 0.316796 -0.088178
C -4.993394 1.578883 -0.493454
C 2.892968 3.959985 0.150476
C 0.415518 -4.667898 -0.402773
C 7.911989 0.915306 0.418971
H 3.606271 -1.888222 -0.190069
H 5.359923 1.429916 0.056606
H 0.818446 2.317208 -0.014662
H 5.675559 -1.392773 -0.830543
H 6.022608 -1.130284 0.900045
H -0.092133 -2.170357 -0.262643
H 7.389384 0.259730 -1.514769
H 8.098398 -0.991862 -0.464317
H -5.039302 -1.674349 0.660204
H -5.697097 2.352744 -0.808222
H 3.673718 4.730021 0.221329
H 2.258734 3.975742 1.056107
H 2.271062 4.128678 -0.748276
H 0.260085 -4.952346 -1.460353
H -0.555718 -4.364251 0.021377
H 0.793393 -5.555956 0.127139


