%chk=000116477.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116477

0 1
 Br -0.3347000      -2.701100     -0.2016000    
 N    3.417900      0.1623000     -0.5877000    
 C    2.114200      0.2038000      9.7800002E-02
 C    1.006800      9.2500001E-02 -0.9830000    
 C    2.048000       1.531100      0.8657000    
 C    2.084700     -0.9703000       1.085700    
 C  -0.4203000      0.1666000     -0.4906000    
 C   -1.114700     -0.9743000     -0.1200000    
 C   -1.010100       1.420300     -0.4231000    
 C   -2.430300     -0.8599000      0.3289000    
 C   -2.325700       1.534700      2.5900001E-02
 C   -3.035800      0.3945000      0.4019000    
 H    1.146200      0.9063000      -1.712100    
 H    1.155800     -0.8086000      -1.591700    
 H    1.149600       1.590400       1.489200    
 H    2.905600       1.647300       1.539900    
 H    2.046600       2.390300      0.1851000    
 H    1.160400     -0.9972000       1.669300    
 H    2.894800     -0.8695000       1.820900    
 H    2.253300      -1.929300      0.5874000    
 H    4.173000      0.2557000      9.0999998E-02
 H    3.503100      0.9589000      -1.218100    
 H  -0.4716000       2.317500     -0.7148000    
 H   -2.999700      -1.736900      0.6263000    
 H   -2.797600       2.511300      8.2300000E-02
 H   -4.060300      0.4837000      0.7513000    


%chk=000116477-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000116477

0 1
Br -0.512973 -2.833221 -0.552555
N 3.454829 0.088231 -0.622965
C 2.172866 0.259385 0.120129
C 1.046993 0.081611 -0.963616
C 2.085845 1.652434 0.809761
C 2.106921 -0.853125 1.190040
C -0.391394 0.134962 -0.477244
C -1.199139 -1.007223 -0.230759
C -1.023764 1.396830 -0.276624
C -2.535819 -0.917753 0.216088
C -2.355606 1.515688 0.169155
C -3.116085 0.352370 0.424512
H 1.192000 0.883434 -1.717073
H 1.256592 -0.876422 -1.468354
H 1.151107 1.776744 1.386202
H 2.934100 1.775672 1.509680
H 2.141331 2.467342 0.061391
H 1.146172 -0.827175 1.732500
H 2.918544 -0.721794 1.932622
H 2.220023 -1.844617 0.721490
H 4.266953 -0.003140 -0.000287
H 3.612916 0.815310 -1.332622
H -0.443709 2.301379 -0.492447
H -3.116845 -1.828169 0.389588
H -2.799511 2.507286 0.308269
H -4.153148 0.424060 0.769018


