%chk=000125123.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125123

0 1
 Br   5.698100       1.248400      0.1367000    
 O   -1.808400       2.172700     -0.5396000    
 O   -1.347000       1.794100       1.667500    
 N   -3.528100     -0.2035000     -6.0800001E-02
 N    1.738400      -2.355600      0.5237000    
 C   -2.063800     -1.6500000E-02  0.3096000    
 C   -1.220500     -0.6693000     -0.7932000    
 C   -3.819900      0.5299000      -1.362100    
 C   -3.820900      -1.686400     -0.2377000    
 C   -4.407600      0.3589000       1.046500    
 C   0.1320000      -1.115300     -0.3112000    
 C   -1.705900       1.464500      0.5021000    
 C    1.304200     -0.3364000     -0.3196000    
 C   0.4071000      -2.343900      0.2045000    
 C    2.311700      -1.142800      0.2144000    
 C    1.627500      0.9742000     -0.7239000    
 C    3.631400     -0.7024000      0.3650000    
 C    2.943400       1.428300     -0.5791000    
 C    3.928500      0.6012000     -4.2900000E-02
 H   -1.921000     -0.5457000       1.262100    
 H   -1.659300      -1.554700      -1.255500    
 H   -1.047800      2.5100000E-02  -1.625900    
 H   -3.089900      0.2902000      -2.136000    
 H   -4.802100      0.1842000      -1.706900    
 H   -3.913100       1.603200      -1.184200    
 H   -4.900600      -1.833200     -0.1236000    
 H   -3.554700      -2.015100      -1.245500    
 H   -3.297300      -2.255400      0.5363000    
 H   -4.174800     -0.1700000       1.975600    
 H   -4.222400       1.430900       1.154500    
 H   -5.454300      0.1966000      0.7705000    
 H  -0.2090000      -3.214800      0.3796000    
 H    2.229900      -3.140600      0.9282000    
 H   0.8779000       1.632400      -1.151800    
 H    4.388900      -1.357200      0.7842000    
 H    3.181800       2.441100     -0.8964000    


%chk=000125123-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000125123

0 1
Br 5.660743 1.547788 0.443999
O -1.631097 2.050738 -0.571006
O -1.402777 1.612903 1.729726
N -3.594716 -0.207396 -0.082027
N 1.980820 -2.476687 0.199691
C -2.037928 -0.201238 0.240835
C -1.215372 -0.849983 -0.898018
C -3.863197 0.322895 -1.490441
C -4.152699 -1.611257 0.069187
C -4.301174 0.704166 0.922972
C 0.181023 -1.221120 -0.449788
C -1.630651 1.310239 0.505279
C 1.330426 -0.339832 -0.296577
C 0.620553 -2.509148 -0.140061
C 2.442672 -1.159048 0.107579
C 1.531746 1.057028 -0.466207
C 3.736236 -0.637707 0.337478
C 2.813282 1.595007 -0.245245
C 3.883844 0.745565 0.147111
H -1.954854 -0.771528 1.183508
H -1.705810 -1.766229 -1.286238
H -1.158395 -0.114935 -1.722619
H -3.563809 -0.437379 -2.226813
H -4.940996 0.535579 -1.582598
H -3.242991 1.233012 -1.600201
H -5.213257 -1.615583 -0.232338
H -3.584584 -2.302027 -0.570169
H -4.059941 -1.920056 1.121985
H -3.950463 0.460384 1.936468
H -4.030523 1.745572 0.699830
H -5.389130 0.553187 0.826073
H 0.070052 -3.448815 -0.149744
H 2.544488 -3.282878 0.458576
H 0.698308 1.714426 -0.738327
H 4.576609 -1.266656 0.644354
H 2.985963 2.668112 -0.361136


