%chk=000106484.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000106484

0 1
 Br  -2.664600       3.367300      0.3093000    
 O    3.227900       3.106500      0.2057000    
 O    2.535500      -3.364400      0.1784000    
 O   -2.172800      -2.502900     -0.6307000    
 O   -2.573500      -2.471800       1.527400    
 O   -7.452100     -0.8060000     -0.5192000    
 O   -7.532700       1.387300     -0.5653000    
 N    4.760400      0.7687000      0.5264000    
 N   0.7629000      -1.851600     -0.1763000    
 N  -0.7440000      0.5266000     -0.4909000    
 N   -1.377600      0.5295000      0.5896000    
 N   -2.679500      -1.969800      0.3840000    
 N   -6.895100      0.3149000     -0.4319000    
 N    7.460100      -1.603500     -0.3097000    
 C    3.373100      0.7126000      0.2700000    
 C    5.656200       1.394000     -0.4250000    
 C    2.631800       1.884100      0.1149000    
 C    2.744200     -0.5287000      0.1720000    
 C    1.374300     -0.5985000     -8.1400000E-02
 C   0.6330000      0.5732000     -0.2363000    
 C    1.261700       1.814500     -0.1379000    
 C    5.305500      0.1895000       1.737000    
 C    6.158100      0.3795000      -1.447100    
 C    1.356100      -3.113000     -4.7600001E-02
 C   -2.758700      0.4830000      0.3336000    
 C    2.392000       4.248800      3.3500001E-02
 C   -3.399800     -0.7517000      0.2327000    
 C    6.885800     -0.7283000     -0.8102000    
 C   -3.488200       1.662100      0.1810000    
 C   -4.770400     -0.8076000     -2.1400001E-02
 C   -5.499900      0.3716000     -0.1737000    
 C   -4.858700       1.606500     -7.2600000E-02
 C   0.3491000      -4.222500     -0.2182000    
 H    6.508300       1.843500      0.1013000    
 H    5.177600       2.216700     -0.9670000    
 H    3.375100      -1.397500      0.2890000    
 H   0.6328000       2.688100     -0.2719000    
 H    6.351900      0.4728000       1.893400    
 H    5.253200     -0.9039000       1.713000    
 H    4.745900      0.5383000       2.612400    
 H    5.315900     -2.3600001E-02  -2.022000    
 H    6.818000      0.8851000      -2.161300    
 H  -0.2321000      -1.828700     -0.3786000    
 H    1.962600       4.287800     -0.9735000    
 H    1.629300       4.314200      0.8171000    
 H    3.030000       5.132400      0.1392000    
 H   -5.250800      -1.781200     -9.6500002E-02
 H   -5.412200       2.535800     -0.1888000    
 H  -0.1467000      -4.134500      -1.188200    
 H  -0.3844000      -4.186600      0.5907000    
 H   0.8615000      -5.188400     -0.1800000    


%chk=000106484-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000106484

0 1
Br -2.404631 -1.275019 -2.486434
O 3.163194 2.544639 0.604095
O 2.842088 -3.965181 -0.626825
O -2.200634 1.164874 2.636818
O -3.992638 2.580443 2.620733
O -7.881025 1.173750 0.048716
O -7.581089 -0.073829 -1.845026
N 4.902947 0.278936 0.258661
N 0.966600 -2.579118 -0.379098
N -0.682059 -0.525971 0.014494
N -1.520826 0.466169 0.217216
N -3.294968 1.612846 2.116796
N -7.138613 0.521289 -0.784327
N 7.938101 1.656306 -1.831325
C 3.517992 0.156031 0.209762
C 5.632487 1.389558 0.912745
C 2.592922 1.273471 0.398967
C 2.955247 -1.128242 -0.066426
C 1.566966 -1.333278 -0.127188
C 0.671501 -0.222956 0.080419
C 1.218490 1.069077 0.335322
C 5.741397 -0.865861 -0.171054
C 6.127658 2.498023 -0.065187
C 1.583609 -3.811764 -0.608871
C -2.881433 0.298275 -0.003701
C 2.242204 3.678529 0.771884
C -3.797243 0.985425 0.875297
C 7.126080 2.036200 -1.043238
C -3.484300 -0.328909 -1.153076
C -5.173967 1.084535 0.632310
C -5.691777 0.451551 -0.510276
C -4.857349 -0.257183 -1.407583
C 0.620876 -4.973204 -0.822290
H 6.497900 0.953481 1.444094
H 4.983830 1.874545 1.653655
H 3.590935 -2.000028 -0.211267
H 0.504740 1.883510 0.480335
H 6.784202 -0.529796 -0.266784
H 5.416683 -1.240289 -1.156171
H 5.700652 -1.701092 0.555586
H 5.252107 2.914710 -0.592109
H 6.575432 3.315273 0.533034
H -0.062188 -2.524494 -0.378982
H 1.615155 3.813159 -0.129293
H 1.598960 3.538477 1.660227
H 2.890346 4.555754 0.912490
H -5.824909 1.628855 1.320289
H -5.305784 -0.733556 -2.283010
H -0.424236 -4.655835 -0.977978
H 0.659026 -5.642511 0.055953
H 0.955344 -5.559380 -1.693976


