%chk=000038390.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038390

0 1
 Br   5.443500       3.685600      0.1485000    
 Br   4.599700      -4.149500     -0.4772000    
 N    3.654400     -9.3400002E-02 -5.6299999E-02
 N   -1.892000      0.4581000      0.4662000    
 N   -2.475100     -0.2908000     -0.3526000    
 C    4.476600       1.048400     -0.4049000    
 C    4.288400      -1.377600      0.1672000    
 C    2.257600      4.6399999E-02  7.6800004E-02
 C    1.577600       1.002900     -0.6771000    
 C    1.555500     -0.7727000      0.9609000    
 C    4.347200       2.147600      0.6318000    
 C    3.754000      -2.421700     -0.7939000    
 C   0.1956000       1.140300     -0.5471000    
 C   0.1735000     -0.6354000       1.091000    
 C  -0.4994000      0.3204000      0.3364000    
 C   -3.860600     -0.1543000     -0.2236000    
 C   -4.540700      0.8012000     -0.9788000    
 C   -4.562800     -0.9736000      0.6602000    
 C   -5.922900      0.9374000     -0.8501000    
 C   -5.945000     -0.8375000      0.7889000    
 C   -6.625100      0.1181000      3.3700000E-02
 H    5.532600      0.7563000     -0.4732000    
 H    4.230200       1.413100      -1.409600    
 H    5.374600      -1.300300      2.7700000E-02
 H    4.170200      -1.693600       1.210900    
 H    2.081500       1.648000      -1.390000    
 H    2.046300      -1.516800       1.580300    
 H    3.333700       2.540900      0.7369000    
 H    4.696500       1.817200       1.614900    
 H    2.682100      -2.607000     -0.6980000    
 H    3.970300      -2.159300      -1.834100    
 H  -0.3272000       1.885500      -1.140600    
 H  -0.3657000      -1.274500       1.785200    
 H   -4.002500       1.443900      -1.670800    
 H   -4.042000      -1.721600       1.252500    
 H   -6.452500       1.681300      -1.438100    
 H   -6.491900      -1.475600       1.476900    
 H   -7.701300      0.2240000      0.1339000    


%chk=000038390-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000038390

0 1
Br 6.016843 3.052765 1.667815
Br 5.220403 -3.651912 -1.841052
N 3.652840 -0.092445 -0.035430
N -1.998172 0.628102 0.104516
N -2.764773 -0.424570 -0.064738
C 4.555896 1.069073 0.072730
C 4.283460 -1.418585 -0.181505
C 2.251915 0.060365 -0.005899
C 1.649156 1.342516 0.195105
C 1.380790 -1.067666 -0.176748
C 4.797196 1.434770 1.550880
C 4.380239 -1.812685 -1.668722
C 0.253460 1.481120 0.220860
C -0.010100 -0.921110 -0.144410
C -0.602143 0.360191 0.054473
C -4.170255 -0.149892 -0.008089
C -5.013462 -1.276384 -0.202085
C -4.744516 1.133404 0.224181
C -6.415788 -1.127947 -0.166400
C -6.144461 1.272500 0.258992
C -6.985721 0.146374 0.064334
H 5.520410 0.819742 -0.403186
H 4.148887 1.936275 -0.475543
H 5.297131 -1.384550 0.254730
H 3.724135 -2.184814 0.382440
H 2.263769 2.235817 0.337224
H 1.793140 -2.067822 -0.341150
H 3.873200 1.722995 2.073000
H 5.316252 0.635313 2.101061
H 3.394575 -1.891308 -2.149906
H 5.033971 -1.136943 -2.240818
H -0.206550 2.462660 0.376264
H -0.668737 -1.785105 -0.276204
H -4.543678 -2.249927 -0.377960
H -4.077648 1.988261 0.371973
H -7.062039 -1.999596 -0.316978
H -6.589947 2.257870 0.438003
H -8.074778 0.264550 0.093043


