%chk=000132818.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000132818

0 1
 Br  -3.396800       3.439700      5.1399998E-02
 O  -0.1585000      0.1619000      0.5996000    
 O    1.059300       1.314200       2.798100    
 N   0.9740000       1.639200      -1.561700    
 N   -2.341300      0.7216000     -4.1700002E-02
 N   -4.562600      0.8502000      5.5100001E-02
 N   -2.062200      -1.690300     -9.7499996E-02
 N   -4.218300      -2.831600     -2.7500000E-02
 N   -6.295400      -1.648500      8.1900001E-02
 C    1.737600      0.5913000     -0.8705000    
 C    1.251300      0.4377000      0.5842000    
 C    3.229600      0.9008000     -0.9699000    
 C  -0.9350000       1.141700     -9.7900003E-02
 C  -0.4527000       1.311900      -1.541000    
 C    4.075900     -0.2252000     -0.3761000    
 C    1.579800       1.606000       1.515600    
 C    5.571100      7.3399998E-02 -0.5079000    
 C    6.416300      -1.072500      5.2700002E-02
 C   -2.792500     -0.5661000     -4.6300001E-02
 C   -3.439100       1.536100      2.0500001E-02
 C    7.922400     -0.8345000     -7.6300003E-02
 C   -4.173200     -0.4650000      1.3800000E-02
 C    8.767000      -1.959000      0.5026000    
 C   -4.891200      -1.656700      2.2000000E-02
 C   -2.865600      -2.776200     -8.3400004E-02
 H    1.547500     -0.3552000      -1.396400    
 H    1.694000     -0.4663000       1.017500    
 H    3.473800       1.854900     -0.4879000    
 H    3.503700       1.017600      -2.027300    
 H  -0.8734000       2.084000      0.4551000    
 H   -1.014000       2.110700      -2.037900    
 H  -0.6234000      0.3940000      -2.118200    
 H    1.288500       1.713600      -2.528700    
 H    3.849900     -0.3625000      0.6864000    
 H    3.842900      -1.168800     -0.8842000    
 H    2.660000       1.742000       1.617300    
 H    1.142800       2.548900       1.176000    
 H    5.811500       1.001800      2.4100000E-02
 H    5.824500      0.2297000      -1.563400    
 H    6.166500      -1.221100       1.110600    
 H    6.156800      -2.003100     -0.4672000    
 H    8.186200      0.1014000      0.4305000    
 H    8.180100     -0.7062000      -1.134300    
 H    1.282200       2.063400       3.376600    
 H    9.831700      -1.735900      0.3825000    
 H    8.557100      -2.905500     -5.4000001E-03
 H    8.563900      -2.089600       1.570100    
 H   -2.359800      -3.735100     -0.1221000    
 H   -6.800000     -0.7732000      0.1186000    
 H   -6.794500      -2.527700      8.6400002E-02


%chk=000132818-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000132818

0 1
Br -2.990968 2.986971 1.761367
O -0.204291 0.294054 0.745779
O 1.506667 1.694399 2.786513
N 0.922376 1.353771 -1.622626
N -2.390845 0.710392 0.018087
N -4.481387 0.648296 0.995113
N -2.522253 -1.443858 -1.260871
N -4.680724 -2.583898 -0.936595
N -6.395538 -1.707445 0.435632
C 1.729398 0.413409 -0.795478
C 1.260022 0.570437 0.674206
C 3.236461 0.649686 -1.031623
C -1.001399 1.122437 -0.177076
C -0.511903 0.973201 -1.631226
C 4.161482 -0.251069 -0.181496
C 1.617794 1.908861 1.335205
C 5.650089 -0.111427 -0.572495
C 6.589376 -0.991107 0.282679
C -3.006259 -0.483433 -0.421867
C -3.337127 1.316162 0.876036
C 8.077742 -0.859063 -0.113569
C -4.289082 -0.489622 0.186612
C 9.010205 -1.739088 0.746618
C -5.140447 -1.596117 -0.097626
C -3.423376 -2.452292 -1.459485
H 1.499644 -0.647683 -1.068799
H 1.685831 -0.234517 1.296893
H 3.479976 1.716795 -0.858677
H 3.444543 0.455519 -2.105796
H -0.928662 2.189144 0.112050
H -1.076511 1.669256 -2.277570
H -0.695487 -0.068711 -1.968699
H 1.300664 1.447237 -2.574553
H 4.047438 -0.006043 0.893779
H 3.850230 -1.310180 -0.294726
H 2.657934 2.186886 1.068584
H 0.948975 2.717924 0.983584
H 5.956237 0.951643 -0.477334
H 5.774628 -0.375696 -1.643730
H 6.470882 -0.723233 1.353422
H 6.280638 -2.053680 0.193174
H 8.385197 0.203198 -0.025743
H 8.194862 -1.128862 -1.183197
H 1.494504 2.567443 3.251446
H 10.067449 -1.627681 0.443105
H 8.742809 -2.808704 0.653742
H 8.935106 -1.467618 1.816603
H -3.099783 -3.261190 -2.121275
H -6.746495 -0.989542 1.065915
H -6.958223 -2.523466 0.204486


