%chk=000145576.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000145576

1 1
 Br  0.6139000       2.985200     -0.4732000    
 N    1.625500      0.3489000      0.2304000    
 C   0.4692000       1.268700      0.4652000    
 C  -0.8506000      0.6093000      0.2489000    
 C   -1.756500      0.4993000       1.303800    
 C   -1.179300      0.1026000      -1.008400    
 C   -3.320000     -0.6239000     -0.1559000    
 C   -2.991200     -0.1174000       1.101500    
 C   -2.414000     -0.5140000      -1.210800    
 C    2.121600     -0.3676000       1.275800    
 C    2.149800      0.2545000      -1.022000    
 C    3.196800      -1.226000       1.070600    
 C    3.225300     -0.5968000      -1.253300    
 C   -4.639600      -1.283700     -0.3721000    
 C    3.749100      -1.339100     -0.2006000    
 H   0.5647000       1.591200       1.510400    
 H   -1.515400      0.8891000       2.289100    
 H  -0.5035000      0.1840000      -1.852900    
 H   -3.689200     -0.1955000       1.930800    
 H   -2.660700     -0.9007000      -2.196100    
 H    1.646300     -0.2406000       2.240000    
 H    1.709000      0.8291000      -1.824900    
 H    3.599500      -1.803600       1.896600    
 H    3.648400     -0.6840000      -2.249000    
 H   -4.571800      -2.060400      -1.141400    
 H   -4.993000      -1.770300      0.5434000    
 H   -5.382800     -0.5436000     -0.6853000    
 H    4.587800      -2.007700     -0.3713000    


%chk=000145576-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000145576

1 1
Br 0.636637 3.070402 -0.261146
N 1.681945 0.379442 0.240633
C 0.468180 1.216592 0.614185
C -0.835945 0.540674 0.321766
C -1.881214 0.688093 1.273367
C -1.078443 -0.208426 -0.860074
C -3.392712 -0.655046 -0.132768
C -3.137869 0.096631 1.046073
C -2.337261 -0.798431 -1.075952
C 2.167100 -0.477109 1.205253
C 2.237830 0.413148 -1.015462
C 3.244794 -1.326917 0.927594
C 3.314174 -0.427602 -1.337130
C -4.753945 -1.264592 -0.390162
C 3.832040 -1.307774 -0.360177
H 0.573714 1.464522 1.680548
H -1.715913 1.274357 2.185814
H -0.298652 -0.337017 -1.619662
H -3.933120 0.218218 1.789432
H -2.511520 -1.378028 -1.989179
H 1.666514 -0.459993 2.175682
H 1.819262 1.139310 -1.714640
H 3.615179 -1.987894 1.714430
H 3.739307 -0.377470 -2.342099
H -4.683958 -2.181849 -0.999004
H -5.276429 -1.510622 0.549588
H -5.397641 -0.554078 -0.944406
H 4.677246 -1.961542 -0.593203


