%chk=000029439.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029439

0 1
 Br  -4.807800      -1.978200      -2.531100    
 N    1.172800      0.9077000     -0.2594000    
 N   -2.287200      0.6338000       2.260600    
 C  -0.1676000       1.385800     -0.6526000    
 C  -3.4000002E-02   2.915000     -0.7480000    
 C    1.418100       3.206900     -0.3997000    
 C    2.127700       1.910100     -0.7340000    
 C   -1.197100      0.9349000      0.3510000    
 C    1.481700     -0.4241000     -0.7646000    
 C   -2.348200      0.1421000      8.5299999E-02
 C   -1.186800       1.221400       1.696400    
 C   -3.014700     -3.2200001E-02   1.300100    
 C    2.851900     -0.8171000     -0.2993000    
 C   -2.889000     -0.4458000      -1.075400    
 C   -4.199800     -0.7679000       1.412500    
 C    3.960300     -0.5085000      -1.081000    
 C    3.003600      -1.486500      0.9105000    
 C   -4.073800      -1.184600     -0.9780000    
 C   -4.717400      -1.341900      0.2478000    
 C    5.234900     -0.8739000     -0.6482000    
 C    4.278500      -1.851600       1.343300    
 C    5.394000      -1.545200      0.5639000    
 H  -0.4300000       1.015900      -1.652600    
 H  -0.7159000       3.472400     -9.7300000E-02
 H  -0.2273000       3.233700      -1.780000    
 H    1.814400       4.059200     -0.9592000    
 H    1.507700       3.429000      0.6710000    
 H    2.290500       1.851600      -1.817800    
 H    3.088100       1.883200     -0.2110000    
 H    1.428800     -0.4692000      -1.860900    
 H   0.7515000      -1.155200     -0.3949000    
 H  -0.4978000       1.790100       2.305600    
 H   -2.530900      0.6815000       3.240300    
 H   -2.388800     -0.3252000      -2.032400    
 H   -4.701600     -0.8908000       2.366500    
 H    3.854200     -1.5000000E-03  -2.036000    
 H    2.142300      -1.728700       1.527000    
 H   -5.638200      -1.917000      0.3187000    
 H    6.103300     -0.6389000      -1.256700    
 H    4.402600      -2.374200       2.287300    
 H    6.386400      -1.830300      0.9006000    


%chk=000029439-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000029439

0 1
Br -5.714939 -0.267355 -2.698956
N 1.266512 1.048983 -0.345920
N -1.934715 -0.566614 2.109077
C -0.178470 1.318680 -0.615230
C -0.293070 2.874095 -0.451685
C 1.168617 3.414454 -0.576892
C 2.005683 2.175528 -0.969409
C -1.092429 0.521863 0.281145
C 1.722202 -0.293916 -0.753681
C -2.439251 0.073767 -0.022897
C -0.823828 0.113354 1.588263
C -2.944531 -0.607987 1.142751
C 3.088542 -0.667741 -0.185342
C -3.265849 0.181451 -1.174774
C -4.235455 -1.176754 1.183688
C 3.935063 -1.557773 -0.891852
C 3.515521 -0.175684 1.073889
C -4.544234 -0.392127 -1.116142
C -5.043415 -1.064558 0.033872
C 5.176372 -1.959883 -0.348546
C 4.757924 -0.570933 1.617488
C 5.592832 -1.467906 0.910241
H -0.423982 1.065577 -1.681245
H -0.724095 3.118125 0.533352
H -0.963305 3.294273 -1.221557
H 1.260998 4.221626 -1.324041
H 1.512246 3.811865 0.393558
H 2.043723 2.065768 -2.083663
H 3.044840 2.211957 -0.600794
H 1.746583 -0.400300 -1.869023
H 0.969409 -1.019481 -0.385994
H 0.085586 0.253455 2.168030
H -1.986082 -0.983983 3.035477
H -2.919540 0.693582 -2.076850
H -4.613971 -1.693219 2.072195
H 3.621565 -1.937877 -1.872699
H 2.863217 0.527235 1.604748
H -6.049863 -1.491600 0.023055
H 5.819217 -2.649621 -0.907556
H 5.076821 -0.179693 2.590831
H 6.556952 -1.774831 1.331388


