%chk=000178480.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178480

0 1
 Br  -3.657600       2.824600      3.0000001E-04
 N   -2.550400      0.1245000      5.0000002E-04
 N   -1.032900       1.747300      3.0000001E-04
 N    1.839200       1.226700     -3.9999999E-04
 N    2.682600      -1.445500      9.9999997E-05
 C   -1.334900     -0.5094000      7.9999998E-04
 C  -0.4028000      0.5224000      8.9999998E-04
 C  -0.9785000      -1.855600      6.9999998E-04
 C   0.9667000      0.1953000      3.0000001E-04
 C    1.370400      -1.150900      3.9999999E-04
 C   0.3931000      -2.145700      6.0000003E-04
 C   -2.317700       1.471400      3.0000001E-04
 C   -1.961700      -2.977800     -8.9999998E-04
 C   -3.849300     -0.5109000     -2.4000001E-03
 C    3.142200      0.8956000     -3.9999999E-04
 C    3.555700     -0.4158000     -9.9999997E-05
 C    4.136000       2.003900     -1.0000000E-03
 H   0.7160000      -3.186700      1.9999999E-04
 H   -2.591100      -2.942900      0.8929000    
 H   -1.460400      -3.952100      2.4999999E-03
 H   -2.584900      -2.945400     -0.8990000    
 H   -3.942300      -1.116900      0.9013000    
 H   -4.651400      0.2273000     -6.0000001E-03
 H   -3.937200      -1.119600     -0.9048000    
 H    4.603300     -0.6935000     -3.0000001E-04
 H    3.637300       2.978700     -6.0000003E-04
 H    4.768100       1.948500     -0.8929000    
 H    4.769400       1.948400      0.8899000    


%chk=000178480-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178480

0 1
Br -3.779600 2.810734 -0.000212
N -2.637392 0.117553 -0.000716
N -1.077267 1.808116 -0.000570
N 1.922152 1.308623 -0.000365
N 2.713316 -1.459977 -0.000053
C -1.369675 -0.512021 -0.000635
C -0.423368 0.563528 -0.000558
C -0.988582 -1.897717 -0.000495
C 0.984511 0.293810 -0.000399
C 1.371913 -1.104859 -0.000275
C 0.385791 -2.148019 -0.000278
C -2.369405 1.497506 -0.000592
C -1.975214 -3.052457 -0.000707
C -3.961451 -0.521064 -0.001573
C 3.227834 0.940175 -0.000215
C 3.606170 -0.449421 -0.000028
C 4.271040 2.033059 -0.000282
H 0.758297 -3.177704 -0.000071
H -2.631520 -3.040197 0.889164
H -1.433380 -4.012341 0.002419
H -2.626941 -3.043541 -0.894040
H -4.098705 -1.141572 0.899296
H -4.731857 0.265189 -0.004615
H -4.095442 -1.145475 -0.900189
H 4.666121 -0.730904 0.000154
H 3.770250 3.013364 0.000267
H 4.924232 1.966076 -0.890822
H 4.925071 1.965435 0.889588


