%chk=000018489.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018489

0 1
 Br   5.794100       1.135300     -5.9700001E-02
 O   -3.771700      0.6428000      -1.108400    
 O   -1.630700     -0.8311000      -1.605600    
 N  -0.8018000     -0.6732000      0.5495000    
 N   0.2841000      -1.441100      0.2448000    
 C   -2.903800      0.4542000      7.1000000E-03
 C   -2.442500       1.835500      0.5238000    
 C   -3.720100     -0.2598000       1.107900    
 C   -1.720400     -0.4154000     -0.4500000    
 C   -1.690800       2.679500     -0.5014000    
 C   -4.320500      -1.593000      0.6692000    
 C    1.550600     -0.8495000      0.1747000    
 C    2.635000      -1.558200     -0.3567000    
 C    1.747600      0.4586000      0.6346000    
 C    3.897000     -0.9681000     -0.4271000    
 C    3.009600       1.048400      0.5640000    
 C    4.084300      0.3352000      3.3300001E-02
 H   -3.322600       2.413900      0.8335000    
 H   -1.810300       1.721300       1.412300    
 H   -4.556000      0.3856000       1.408100    
 H   -3.109500     -0.4241000       2.003300    
 H   -2.324500       2.932000      -1.356500    
 H   -1.368000       3.620000     -4.2599998E-02
 H  -0.7982000       2.165400     -0.8697000    
 H   -4.905900      -2.024900       1.487600    
 H   -3.542200      -2.313600      0.4010000    
 H   -4.988500      -1.469100     -0.1886000    
 H   -3.259400       1.035700      -1.834500    
 H  -0.8886000     -0.3792000       1.515900    
 H   0.1253000      -2.376700     -0.1060000    
 H    2.503200      -2.574800     -0.7195000    
 H   0.9398000       1.047700       1.060300    
 H    4.724000      -1.537600     -0.8434000    
 H    3.139200       2.064400      0.9283000    


%chk=000018489-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018489

0 1
Br 5.884052 1.129355 -0.254834
O -3.739320 0.739769 -1.150194
O -1.474983 -0.580960 -1.588292
N -0.848710 -0.723382 0.644267
N 0.294161 -1.496570 0.379932
C -2.935766 0.530741 0.055044
C -2.484489 1.917836 0.608282
C -3.821397 -0.222008 1.089113
C -1.694876 -0.302000 -0.369595
C -1.652525 2.745266 -0.391386
C -4.267993 -1.623311 0.629291
C 1.548705 -0.849742 0.201475
C 2.626126 -1.598596 -0.343287
C 1.769272 0.489467 0.611848
C 3.902520 -1.017826 -0.480654
C 3.048180 1.072332 0.477784
C 4.104637 0.315636 -0.065712
H -3.410032 2.468781 0.862050
H -1.925402 1.774443 1.556015
H -4.712943 0.413379 1.248398
H -3.297619 -0.275991 2.066726
H -2.221194 2.890706 -1.325610
H -1.418736 3.740517 0.027014
H -0.696389 2.251877 -0.647123
H -4.956522 -2.075250 1.365338
H -3.410837 -2.311624 0.504543
H -4.793831 -1.550064 -0.337675
H -3.205844 0.386960 -1.919990
H -1.107300 -0.615363 1.626944
H 0.103487 -2.293421 -0.235974
H 2.469685 -2.635648 -0.662776
H 0.947203 1.082208 1.023709
H 4.725424 -1.598936 -0.906533
H 3.211058 2.107517 0.791361


