%chk=000041987.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041987

0 1
 Br  -5.987100      0.2787000     -0.3311000    
 N    2.716700       2.615300      2.9999999E-02
 N    1.893400      -2.993700      0.9367000    
 C   0.1124000      0.2306000      0.3219000    
 C    2.174700       1.622600      0.9572000    
 C   0.7119000       1.381000      0.7020000    
 C   -1.365500      0.2439000      0.1643000    
 C   0.9170000     -0.9863000      7.3100001E-02
 C   -2.153700     -7.0200004E-02   1.251600    
 C   -1.901000      0.5684000      -1.064700    
 C    2.566200       2.159800      -1.351600    
 C    4.123000       2.881100      0.3302000    
 C    1.416100      -1.236900      -1.184500    
 C    1.166500      -1.865000       1.095800    
 C   -3.540600     -5.9500001E-02   1.103200    
 C   -3.287900      0.5793000      -1.213200    
 C   -4.107800      0.2654000     -0.1291000    
 C    2.168800      -2.388200      -1.387600    
 C    2.377000      -3.226400     -0.3042000    
 H    2.261000       1.999200       1.984700    
 H    2.759200      0.6961000      0.9199000    
 H   8.3200000E-02   2.256300      0.8737000    
 H   -1.722900     -0.3245000       2.216000    
 H   -1.271900      0.8150000      -1.915500    
 H    1.516900       2.075700      -1.652300    
 H    3.071300       1.204400      -1.531300    
 H    3.003500       2.895900      -2.037100    
 H    4.517100       3.660500     -0.3314000    
 H    4.747500       1.987100      0.2194000    
 H    4.234400       3.254800       1.354200    
 H    1.231100     -0.5665000      -2.018500    
 H   0.7936000      -1.705400       2.102400    
 H   -4.165300     -0.3068000       1.957800    
 H   -3.713700      0.8344000      -2.180200    
 H    2.578300      -2.622700      -2.363500    
 H    2.957000      -4.137300     -0.4103000    


%chk=000041987-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041987

0 1
Br -6.029897 0.338976 -0.644227
N 2.812840 2.808231 -0.008804
N 2.499112 -2.707614 1.234849
C 0.204763 0.193104 0.263421
C 2.371228 1.571896 0.686327
C 0.882699 1.361836 0.506968
C -1.274844 0.220670 0.026362
C 0.885848 -1.136528 0.227345
C -2.106664 -0.843103 0.473973
C -1.896825 1.313203 -0.640006
C 2.746698 2.685615 -1.480115
C 4.138407 3.270086 0.449804
C 0.625182 -2.080935 -0.803931
C 1.822874 -1.522443 1.227817
C -3.505404 -0.815136 0.286202
C -3.293029 1.358372 -0.837122
C -4.085546 0.290500 -0.367770
C 1.313200 -3.312046 -0.813728
C 2.246165 -3.580843 0.215306
H 2.592761 1.711204 1.765000
H 2.946610 0.670989 0.356770
H 0.310274 2.297212 0.578047
H -1.660862 -1.698090 0.993274
H -1.282188 2.130937 -1.031456
H 1.728040 2.389298 -1.785724
H 3.462222 1.927530 -1.889645
H 2.976213 3.661606 -1.943529
H 4.378573 4.234577 -0.032340
H 4.966782 2.554200 0.215440
H 4.121715 3.430207 1.542654
H -0.100856 -1.842694 -1.588774
H 2.019522 -0.860237 2.078908
H -4.129047 -1.637404 0.648482
H -3.751680 2.203948 -1.357654
H 1.136581 -4.050098 -1.602530
H 2.808935 -4.520925 0.238407


