%chk=000043348.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043348

0 1
 Br  -3.622100      -2.680000     -0.8277000    
 N    1.196700     -0.9561000      0.2701000    
 N  -6.4800002E-02   1.081700      0.2618000    
 N    2.283600       1.086300     -0.1358000    
 N   -3.743300       1.242800      0.5023000    
 N    2.007600       3.523300     -0.6356000    
 C    2.544500      -1.530500      0.1522000    
 C    3.431500     -0.9043000       1.227800    
 C    2.430300      -3.040200      0.3609000    
 C    3.081300      -1.219400      -1.244600    
 C    1.087500      0.3223000      0.1268000    
 C   -1.418800      0.6833000      0.1966000    
 C   -1.763100     -0.5942000     -0.2170000    
 C   -2.429500       1.558900      0.5427000    
 C   -3.104300     -0.9567000     -0.2716000    
 C   -4.047300     -9.8999999E-03  9.5299996E-02
 C    2.130100       2.392800     -0.4041000    
 H    2.932500     -0.1824000       1.884500    
 H    4.363500     -0.4683000      0.8502000    
 H    3.776900      -1.685300       1.920000    
 H    3.407800      -3.529700      0.2880000    
 H    2.006900      -3.272000       1.345200    
 H    1.767300      -3.492500     -0.3859000    
 H    3.304900      -2.157400      -1.772100    
 H    4.037400     -0.6845000      -1.260200    
 H    2.371800     -0.7082000      -1.905700    
 H   3.1700000E-02   2.071900      0.4675000    
 H    3.213100      0.7154000     -0.2003000    
 H   -1.022400      -1.320300     -0.5312000    
 H   -2.218300       2.571100      0.8736000    
 H   -5.110500     -0.2293000      7.4900001E-02


%chk=000043348-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000043348

0 1
Br -3.441512 -2.995288 0.156121
N 1.279625 -0.721089 0.118227
N -0.056275 1.240416 0.107399
N 2.283310 1.512260 0.020908
N -3.754061 1.207141 0.110155
N 2.011537 4.037098 -0.217983
C 2.531992 -1.534279 0.040623
C 3.497464 -1.246024 1.229658
C 2.063529 -3.008704 0.145764
C 3.245355 -1.334171 -1.327861
C 1.172380 0.568061 0.083368
C -1.357418 0.695087 0.113769
C -1.642903 -0.697136 0.131121
C -2.457638 1.603522 0.104969
C -2.995141 -1.082425 0.133836
C -4.035298 -0.129205 0.123550
C 2.162651 2.849914 -0.105203
H 2.945845 -1.272419 2.185863
H 4.018153 -0.270484 1.163374
H 4.284219 -2.020539 1.263196
H 2.920194 -3.702221 0.066390
H 1.554625 -3.181204 1.110413
H 1.347052 -3.237510 -0.662337
H 4.107084 -2.021253 -1.405258
H 3.621245 -0.305045 -1.477747
H 2.548095 -1.560114 -2.153525
H -0.015718 2.264145 0.114955
H 3.216133 1.109759 0.112185
H -0.816512 -1.408610 0.144249
H -2.285882 2.688358 0.091982
H -5.089630 -0.419439 0.126441


