%chk=000040195.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040195

0 1
 Br  -6.295500      0.2797000     -0.1849000    
 N   0.4489000       1.882400     -0.4669000    
 N   0.1716000      -3.810100      0.9730000    
 C   0.4978000      -1.372400       1.198000    
 C   0.7510000     -6.6699997E-02  0.5512000    
 C   0.4868000      -2.585700      0.2282000    
 C    2.026200      0.5311000      0.3476000    
 C  -0.1984000      0.7878000      3.9999999E-02
 C    1.808400       1.753000     -0.2928000    
 C    1.832900      -2.750800     -0.5027000    
 C   -1.636600      0.6672000     -1.3000000E-02
 C    3.348900      0.1489000      0.6475000    
 C    2.851400       2.615100     -0.6499000    
 C    1.859600      -3.940700      -1.455400    
 C    4.402100       1.001300      0.2965000    
 C    4.154900       2.214900     -0.3422000    
 C   -2.414700       1.156400       1.035100    
 C   -2.244500      6.3100003E-02  -1.112600    
 C   -3.803800       1.041100      0.9836000    
 C   -3.633600     -5.2200001E-02  -1.164200    
 C   -4.413400      0.4368000     -0.1160000    
 H    1.250500      -1.542500       1.980200    
 H  -0.4626000      -1.333100       1.730000    
 H  -0.3015000      -2.430700     -0.5192000    
 H    2.040000      -1.860400      -1.104900    
 H    2.650700      -2.860200      0.2193000    
 H  -7.9999998E-04   2.674000     -0.9065000    
 H    3.563000     -0.7879000       1.152900    
 H   2.3000001E-03  -4.577100      0.3241000    
 H  -0.7000000      -3.681600       1.486000    
 H    2.659900       3.560000      -1.147000    
 H    2.785900      -3.929000      -2.039400    
 H    1.826500      -4.893200     -0.9182000    
 H    1.019200      -3.903800      -2.155700    
 H    5.424100      0.7127000      0.5272000    
 H    4.987900       2.861700     -0.6054000    
 H   -1.954700       1.629600       1.899300    
 H   -1.650300     -0.3235000      -1.937300    
 H   -4.396900       1.427000       1.808800    
 H   -4.092700     -0.5261000      -2.028000    


%chk=000040195-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040195

0 1
Br -6.505517 0.546257 0.030994
N 0.410367 1.985924 -0.271329
N 0.131853 -3.946035 0.648724
C 0.522261 -1.553242 1.004849
C 0.747032 -0.162572 0.460911
C 0.567029 -2.712933 -0.039391
C 2.029662 0.513263 0.362577
C -0.233508 0.772434 0.066405
C 1.789778 1.850347 -0.114585
C 1.975796 -2.916787 -0.642641
C -1.702680 0.702938 0.055742
C 3.365373 0.121174 0.653327
C 2.831973 2.776375 -0.339170
C 2.036524 -4.018837 -1.723938
C 4.408295 1.042840 0.444661
C 4.146109 2.354882 -0.053037
C -2.481036 1.863306 0.343148
C -2.398585 -0.503574 -0.239304
C -3.890758 1.827660 0.334507
C -3.807790 -0.557335 -0.241170
C -4.542756 0.611732 0.043236
H 1.276752 -1.786973 1.780098
H -0.464015 -1.591618 1.511327
H -0.105807 -2.430198 -0.891835
H 2.307276 -1.958199 -1.082318
H 2.672108 -3.165381 0.182828
H -0.059550 2.782085 -0.697433
H 3.581191 -0.883128 1.033377
H 0.182488 -4.794710 0.078361
H -0.761399 -3.864012 1.144757
H 2.633477 3.787806 -0.711085
H 3.037267 -4.053617 -2.191647
H 1.842556 -5.024200 -1.304333
H 1.298074 -3.831794 -2.527476
H 5.441630 0.752805 0.664888
H 4.980888 3.047195 -0.209508
H -1.983855 2.799515 0.621928
H -1.836108 -1.401902 -0.507741
H -4.468638 2.727141 0.565657
H -4.323256 -1.492529 -0.478061


