%chk=000178475.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178475

0 1
 Br  -4.356300       1.906900     -1.4000000E-03
 N   -2.686600     -0.4853000      5.0000002E-04
 N   -1.558900       1.429000      6.9999998E-04
 N    1.357600       1.546300     -9.9999997E-05
 N    2.762700     -0.8781000     -3.0000001E-04
 C   -1.362200     -0.8393000      6.0000003E-04
 C  -0.6771000      0.3707000      1.0000000E-03
 C   0.7307000      0.3497000      3.0000001E-04
 C    1.417800     -0.8763000       0.000000    
 C  -0.7212000      -2.075600      9.9999997E-05
 C   0.6806000      -2.060000     -9.9999997E-05
 C   -2.752800      0.8799000      6.9999998E-04
 C   -3.805900      -1.400100     -1.1000000E-03
 C    3.390600      0.3171000     -3.0000001E-04
 C    2.701500       1.506900     -9.9999997E-05
 C    4.879600      0.3084000     -5.0000002E-04
 H   -1.262700      -3.014400     -3.0000001E-04
 H    1.205400      -3.014500     -5.0000002E-04
 H   -4.395700      -1.220700     -0.9038000    
 H   -3.459100      -2.434500      5.1000002E-03
 H   -4.404500      -1.213600      0.8944000    
 H    3.200400       2.468600     -1.9999999E-04
 H    5.263800      0.8144000      0.8909000    
 H    5.266800     -0.7158000     -5.0000002E-04
 H    5.263700      0.8143000     -0.8920000    


%chk=000178475-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178475

0 1
Br -4.522629 1.805080 -0.000099
N -2.766058 -0.504974 -0.000030
N -1.641496 1.502687 -0.000111
N 1.424901 1.661759 0.000032
N 2.794022 -0.870489 -0.000322
C -1.393546 -0.817661 -0.000285
C -0.715257 0.441896 -0.000193
C 0.717830 0.472476 -0.000157
C 1.407572 -0.809076 -0.000339
C -0.717771 -2.069218 -0.000559
C 0.676347 -2.048018 -0.000551
C -2.827989 0.896431 -0.000011
C -3.894239 -1.443759 -0.000644
C 3.473440 0.301170 -0.000134
C 2.769171 1.558220 0.000041
C 4.983890 0.252944 -0.000070
H -1.258915 -3.021102 -0.000849
H 1.261213 -2.972287 -0.000760
H -4.516288 -1.306575 -0.901741
H -3.503081 -2.472578 0.006442
H -4.524166 -1.297458 0.893449
H 3.330207 2.500647 0.000168
H 5.402045 0.760131 0.889698
H 5.316883 -0.796473 -0.000118
H 5.402114 0.760226 -0.889754


