%chk=000129482.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129482

0 1
 Br   2.737300      -3.387400     -0.2830000    
 O   -3.302000       1.230400      -1.323000    
 N   -2.281100      0.2229000      0.5437000    
 N    3.075900      0.7584000      9.5500000E-02
 C   -3.219200      -1.890100      0.3715000    
 C   -2.103200      -1.118400       1.047100    
 C   -3.417500      -1.162700     -0.9529000    
 C   -3.029600      0.2614000     -0.6304000    
 C   -1.617300       1.355200       1.152600    
 C    2.543200     -0.5507000     -0.2875000    
 C    2.195000       1.825500     -0.3618000    
 C  -0.2672000       1.518100      0.6157000    
 C    4.424800      0.9348000     -0.4458000    
 C   0.8425000       1.654400      0.1769000    
 C    3.418300      -1.651700      0.2815000    
 H   -4.136600      -1.814600      0.9687000    
 H   -2.987100      -2.951200      0.2456000    
 H   -2.189100      -1.140800       2.137000    
 H   -1.115600      -1.478400      0.7408000    
 H   -4.452700      -1.219400      -1.297500    
 H   -2.741800      -1.544900      -1.724400    
 H   -1.607000       1.218600       2.238500    
 H   -2.204500       2.253200      0.9307000    
 H    2.470900     -0.6421000      -1.380100    
 H    1.534400     -0.7117000      0.1096000    
 H    2.580600       2.795000     -2.3300000E-02
 H    2.151400       1.861700      -1.458000    
 H    4.476000      0.7301000      -1.521400    
 H    5.160100      0.3146000      7.5599998E-02
 H    4.765900       1.965600     -0.2887000    
 H    4.443500      -1.647800     -9.4099998E-02
 H    3.425500      -1.657200       1.375300    


%chk=000129482-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000129482

0 1
Br 1.884688 -3.310484 0.334432
O -3.904457 1.396465 -0.447067
N -2.213945 0.134158 0.606727
N 3.283065 0.705811 -0.212288
C -2.940703 -2.088585 0.195220
C -1.719392 -1.255112 0.683466
C -3.753955 -1.104582 -0.685619
C -3.348523 0.291261 -0.188485
C -1.482244 1.286394 1.147658
C 2.817455 -0.650890 -0.577748
C 2.331379 1.808343 -0.501753
C -0.134592 1.463859 0.563279
C 4.673915 1.027703 -0.578865
C 0.997721 1.610570 0.095236
C 2.541664 -1.409016 0.729682
H -3.545460 -2.406207 1.062545
H -2.621757 -2.993199 -0.347046
H -1.419062 -1.511058 1.716428
H -0.834511 -1.396655 0.031011
H -4.845534 -1.234137 -0.611331
H -3.484635 -1.178974 -1.756311
H -1.396786 1.194562 2.249256
H -2.111047 2.172965 0.929885
H 3.582015 -1.186242 -1.171997
H 1.895973 -0.611850 -1.190481
H 2.767579 2.743754 -0.098853
H 2.206088 1.966402 -1.603907
H 4.823686 1.179147 -1.676145
H 5.342480 0.212412 -0.253763
H 4.995441 1.948904 -0.059588
H 3.448304 -1.539014 1.338371
H 1.738949 -0.935907 1.312450


