%chk=000039306.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039306

0 1
 Br  0.2458000      -4.292400      0.4994000    
 O   -3.427000     -0.6692000     -0.2745000    
 O    2.803700      -2.390800      0.3617000    
 N   -1.943000       2.219600      0.7437000    
 C   0.1749000     -0.1267000     -0.1400000    
 C   -1.173500      0.1572000     -0.2647000    
 C   0.5875000      -1.451100      8.6599998E-02
 C    1.339800      0.7294000     -0.2003000    
 C    2.494700     -4.9400002E-02 -1.2200000E-02
 C   -1.684900       1.537000     -0.5057000    
 C    2.063000      -1.450700      0.1752000    
 C   -2.086200     -0.8998000     -0.1585000    
 C  -0.2907000      -2.510400      0.1952000    
 C   -1.648900      -2.219000      6.9100000E-02
 C    1.460400       2.093200     -0.4004000    
 C    3.771200      0.4752000     -1.4900000E-02
 C    2.745000       2.651200     -0.4076000    
 C    3.887500       1.850500     -0.2170000    
 C   -2.944700       1.500000       1.539700    
 C   -2.390000       3.597800      0.5084000    
 C   -3.984700     -0.7516000      -1.583000    
 H   -1.027400       2.086600      -1.180500    
 H   -2.608800       1.500100      -1.097500    
 H   -2.390700      -3.011900      0.1463000    
 H   0.6357000       2.777400     -0.5169000    
 H    4.647500     -0.1444000      0.1328000    
 H    2.864300       3.721900     -0.5543000    
 H    4.871200       2.312700     -0.2258000    
 H   -2.575600      0.5495000       1.934300    
 H   -3.894000       1.366300       1.010200    
 H   -3.174600       2.084100       2.440700    
 H   -1.634200       4.154800     -5.6400001E-02
 H   -2.523500       4.127200       1.458300    
 H   -3.334400       3.636300     -4.6599999E-02
 H   -4.185600      -1.799000      -1.828300    
 H   -3.323400     -0.3199000      -2.341600    
 H   -4.930800     -0.2035000      -1.588500    


%chk=000039306-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039306

0 1
Br 0.191650 -4.369130 -0.366120
O -3.459142 -0.496571 -0.924572
O 2.842747 -2.475597 0.003157
N -1.752549 2.491841 0.504915
C 0.132343 -0.084443 -0.283446
C -1.212504 0.247598 -0.538774
C 0.585835 -1.452619 -0.244405
C 1.320579 0.792714 -0.061700
C 2.479271 -0.031893 0.034990
C -1.709048 1.671154 -0.741247
C 2.077470 -1.474239 -0.060872
C -2.125793 -0.852790 -0.696717
C -0.339090 -2.488034 -0.412511
C -1.705338 -2.202297 -0.625937
C 1.444450 2.187974 0.089796
C 3.761322 0.502062 0.232471
C 2.740868 2.735127 0.282101
C 3.889950 1.909561 0.343484
C -2.548840 1.875607 1.587875
C -2.202289 3.867487 0.202937
C -4.446904 -1.566578 -1.109272
H -1.024993 2.188242 -1.443885
H -2.710851 1.628980 -1.224903
H -2.414015 -3.024019 -0.745071
H 0.551589 2.818010 0.133087
H 4.628296 -0.162749 0.304797
H 2.851565 3.819089 0.400510
H 4.876474 2.360770 0.495722
H -2.136424 0.883628 1.837539
H -3.627088 1.747984 1.321412
H -2.484719 2.509726 2.489917
H -1.535242 4.324342 -0.551780
H -2.156562 4.481912 1.119358
H -3.248082 3.912900 -0.193571
H -4.521514 -2.200942 -0.205955
H -4.197720 -2.190856 -1.988032
H -5.400103 -1.045752 -1.278900


