%chk=000122758.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122758

0 1
 Br   4.593800      -2.490700       0.000000    
 N  -3.9200000E-02   1.419200       0.000000    
 C   -1.369300       1.077000     -3.0000001E-04
 C   8.7899998E-02   2.783800      3.9999999E-04
 C    1.030300      0.5162000      1.9999999E-04
 C   -2.099300       2.248800     -1.1000000E-03
 C   -1.851100     -0.2828000     -1.9999999E-04
 C   -1.178500       3.325600     -5.0000002E-04
 C    1.399700       3.467800      6.9999998E-04
 C    1.550400      7.7399999E-02  -1.207800    
 C    1.550000      7.7200003E-02   1.208100    
 C   -2.083400     -0.9406000      -1.208200    
 C   -2.085600     -0.9396000       1.207900    
 C    2.616100     -0.8226000      -1.207900    
 C    2.615800     -0.8227000       1.208100    
 C   -2.550000      -2.255200      -1.207900    
 C   -2.552000      -2.254100       1.208100    
 C    3.148700      -1.272700      9.9999997E-05
 C   -2.784200      -2.912000      1.9999999E-04
 H   -3.178400       2.323700     -1.8000000E-03
 H   -1.416800       4.380300     -6.9999998E-04
 H    1.981200       3.206200     -0.8892000    
 H    1.271600       4.555600      8.9999998E-04
 H    1.980900       3.205700      0.8906000    
 H    1.143900      0.4213000      -2.155300    
 H    1.143400      0.4207000       2.155700    
 H   -1.905400     -0.4431000      -2.158600    
 H   -1.909300     -0.4412000       2.158200    
 H    3.019800      -1.163200      -2.157900    
 H    3.019300      -1.163400       2.158100    
 H   -2.730500      -2.767600      -2.148300    
 H   -2.734100      -2.765700       2.148700    
 H   -3.147200      -3.935700      3.0000001E-04


%chk=000122758-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122758

0 1
Br 4.711473 -2.542449 0.000477
N -0.044609 1.456360 -0.000005
C -1.419472 1.111724 -0.000086
C 0.092495 2.861605 -0.000042
C 1.052854 0.521208 0.000108
C -2.141412 2.311506 0.000068
C -1.893743 -0.299505 -0.000127
C -1.199882 3.400473 0.000102
C 1.434780 3.537956 -0.000171
C 1.596105 0.067105 -1.223731
C 1.595865 0.067115 1.224059
C -2.134537 -0.984763 -1.220988
C -2.137524 -0.983718 1.220722
C 2.678494 -0.840467 -1.231063
C 2.678247 -0.840468 1.231612
C -2.605926 -2.316770 -1.222645
C -2.608944 -2.315718 1.222362
C 3.205610 -1.281863 0.000328
C -2.842989 -2.986971 -0.000143
H -3.227940 2.382098 0.000085
H -1.432593 4.464596 0.000165
H 2.039361 3.277911 -0.890502
H 1.290749 4.630994 0.000159
H 2.039771 3.277423 0.889735
H 1.169534 0.422378 -2.167203
H 1.169082 0.422363 2.167444
H -1.961390 -0.460742 -2.168057
H -1.966660 -0.458886 2.167754
H 3.099028 -1.195518 -2.175964
H 3.098583 -1.195522 2.176599
H -2.790739 -2.828892 -2.173754
H -2.796087 -2.827028 2.173452
H -3.209086 -4.019937 -0.000148


