%chk=000068799.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068799

0 1
 Br   5.882100      1.8600000E-02  0.2424000    
 N   -2.613900      -2.993900      0.3082000    
 N   -2.274200       2.653300      -1.017800    
 C  -0.2237000     -0.3620000     -0.2116000    
 C    1.224200     -0.2735000     -0.1040000    
 C   -1.129400      0.8162000     -3.0999999E-02
 C  -0.7897000      -1.573700     -0.4934000    
 C   -2.243800      -1.935300     -0.6279000    
 C    1.845100     -0.4686000       1.129500    
 C    1.991400      8.2000000E-03  -1.234400    
 C   -1.607900       1.110500       1.216000    
 C   -1.462000       1.576700      -1.111700    
 C    3.233400     -0.3819000       1.232900    
 C    3.379900      9.4800003E-02  -1.131200    
 C    4.000900     -0.1004000      0.1026000    
 C   -2.446700       2.211000       1.352800    
 C   -4.019100      -3.343400      0.1635000    
 C   -2.746600       2.943300      0.2152000    
 H  -0.1142000      -2.419100     -0.6397000    
 H   -2.893100      -1.066500     -0.4810000    
 H   -2.400200      -2.283700      -1.656200    
 H    1.261900     -0.6891000       2.020400    
 H    1.523300      0.1630000      -2.203600    
 H   -1.354800      0.5155000       2.088000    
 H   -1.098600       1.367000      -2.112200    
 H   -2.454600      -2.669900       1.262600    
 H    3.701700     -0.5364000       2.201500    
 H    3.963100      0.3153000      -2.021500    
 H   -2.853200       2.486600       2.319100    
 H   -4.234000      -3.715400     -0.8436000    
 H   -4.671100      -2.490000      0.3769000    
 H   -4.270300      -4.141800      0.8685000    
 H   -3.396500       3.810500      0.2685000    


%chk=000068799-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000068799

0 1
Br 5.897229 -0.009667 0.612470
N -2.694991 -3.165956 0.353661
N -2.878161 2.258414 -1.205058
C -0.341169 -0.412069 -0.177617
C 1.139662 -0.309929 0.028502
C -1.127617 0.858386 -0.175782
C -0.925167 -1.640805 -0.365293
C -2.395796 -1.977548 -0.476577
C 1.859978 -1.321370 0.723124
C 1.872996 0.799557 -0.476261
C -0.930681 1.854528 0.820081
C -2.106325 1.133340 -1.172797
C 3.258242 -1.244367 0.894681
C 3.272171 0.893163 -0.315147
C 3.951775 -0.134346 0.369639
C -1.717232 3.024810 0.802839
C -4.045972 -3.727847 0.168031
C -2.684301 3.181982 -0.217639
H -0.278878 -2.527831 -0.415038
H -3.032257 -1.093680 -0.232735
H -2.632541 -2.251308 -1.527069
H 1.319645 -2.169634 1.156883
H 1.349333 1.593699 -1.018788
H -0.176985 1.702859 1.600439
H -2.258445 0.430907 -2.000507
H -2.472379 -2.997649 1.343015
H 3.793721 -2.027968 1.438304
H 3.820120 1.748244 -0.721004
H -1.590714 3.800478 1.564677
H -4.154260 -4.092525 -0.870352
H -4.877941 -3.007390 0.359956
H -4.180326 -4.593791 0.839824
H -3.323338 4.071212 -0.260664


