%chk=000134623.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000134623

0 1
 Br   5.461600     -4.1000000E-03 -6.9999998E-04
 N   -2.744000      -1.201300     -1.9999999E-04
 N   -2.756000       1.208400       0.000000    
 N  -0.7261000       2.421200      5.0000002E-04
 N   -4.763300     -6.5000001E-03 -9.9999997E-05
 C  -0.6648000      1.3900000E-02  9.9999997E-05
 C   0.7820000      1.0100000E-02  5.0000002E-04
 C   -1.395400      -1.157600     -1.9999999E-04
 C   -1.407200       1.178200       0.000000    
 C    1.479000      8.5000005E-03  -1.207600    
 C    1.479800      7.6000001E-03   1.208400    
 C  -0.7145000      -2.488300     -1.9999999E-04
 C    2.873800      4.1999999E-03  -1.208000    
 C    2.874600      3.3000000E-03   1.208000    
 C   -3.351400      6.0000003E-04   0.000000    
 C    3.571700      1.8000000E-03 -1.9999999E-04
 H   0.9504000      1.0200000E-02  -2.158000    
 H   0.9516000      8.8000000E-03   2.158900    
 H   -1.450600      -3.300100     -6.0000003E-04
 H  -9.5700003E-02  -2.611600     -0.8945000    
 H  -9.6299998E-02  -2.611800      0.8945000    
 H    3.401800      2.7000001E-03  -2.158200    
 H    3.403200      1.3000000E-03   2.157800    
 H   0.1703000       2.487400      0.4659000    
 H   -1.307000       3.251100     -8.9999996E-03
 H   -5.264700      0.8710000      3.9999999E-04
 H   -5.255900     -0.8890000      3.0000001E-04


%chk=000134623-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000134623

0 1
Br 5.607376 0.063978 0.023190
N -2.819602 -1.214756 0.010799
N -2.802690 1.235475 0.020960
N -0.804411 2.436838 0.027381
N -4.804968 0.024608 0.017209
C -0.688310 -0.017426 0.016728
C 0.806790 -0.002037 0.018138
C -1.449206 -1.216807 0.011093
C -1.435619 1.209889 0.021236
C 1.538738 0.055423 -1.199438
C 1.537362 -0.031551 1.237431
C -0.783862 -2.576723 0.002146
C 2.952541 0.073838 -1.208496
C 2.951069 -0.013819 1.249366
C -3.427757 0.018341 0.016324
C 3.641457 0.038426 0.021146
H 0.996004 0.080772 -2.150954
H 0.993383 -0.071505 2.187695
H -1.558455 -3.358271 -0.007859
H -0.133588 -2.699600 -0.883507
H -0.140866 -2.716110 0.890606
H 3.502317 0.113451 -2.153423
H 3.499751 -0.040722 2.195369
H 0.209534 2.506312 0.029917
H -1.382391 3.274079 0.030668
H -5.299859 0.911605 0.021061
H -5.297839 -0.863707 0.013016


