%chk=000002867.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002867

0 1
 Br  -8.625900       2.203700     -0.1750000    
 O    3.051900      -1.254600      -1.937900    
 O    1.573700      -2.840500      0.1518000    
 N   -5.077100      -1.711900      0.7739000    
 N    4.397600      0.6158000       2.003300    
 N   0.4375000     -0.8644000     -0.4316000    
 C   -4.372500      0.2221000     -8.6700000E-02
 C    4.878000      0.3196000     -0.1552000    
 C   -5.500800     -0.4689000      0.3605000    
 C    5.328100      0.9044000       1.030500    
 C   -3.258800     -0.6491000      7.3100001E-02
 C    3.661500     -0.3160000      0.1564000    
 C   -3.723700      -1.830100      0.6042000    
 C    3.377800     -0.1294000       1.475000    
 C   -4.529600       1.536300     -0.5701000    
 C    5.655300      0.4659000      -1.321200    
 C   -6.783300      9.0899996E-02  0.3482000    
 C    6.521500       1.631200       1.108600    
 C   -1.905800     -0.3941000     -0.2406000    
 C    2.799600      -1.070300     -0.7505000    
 C   -5.806500       2.109000     -0.5883000    
 C    6.851400       1.190100      -1.258000    
 C   -6.914600       1.395600     -0.1357000    
 C    7.275900       1.763000     -6.0800001E-02
 C  -0.8341000      -1.218000     -9.2600003E-02
 C    1.522600      -1.700200     -0.2811000    
 H   -5.678800      -2.432200       1.148500    
 H   -3.227500      -2.750200      0.8814000    
 H    4.459500      0.9116000       2.967700    
 H    2.556000     -0.4472000       2.101600    
 H   -3.678200       2.108600     -0.9272000    
 H    5.344800      2.8700000E-02  -2.265400    
 H   -7.638000     -0.4761000      0.7038000    
 H    6.852800       2.077500       2.040200    
 H   -1.694600      0.5913000     -0.6554000    
 H   -5.915700       3.124100     -0.9635000    
 H    7.455100       1.306200      -2.154300    
 H    8.208200       2.321400     -3.4299999E-02
 H  -0.9487000      -2.217900      0.3129000    
 H   0.5805000      6.5800004E-02 -0.8171000    


%chk=000002867-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000002867

0 1
Br -9.325186 1.003186 -1.579320
O 2.378625 1.106956 -0.907690
O 1.434314 -1.251245 1.655564
N -5.357075 -1.442848 1.264620
N 5.666600 -0.943016 1.689477
N 0.209209 0.032428 0.118848
C -4.800788 0.097682 -0.324375
C 5.188640 0.519905 -0.004795
C -5.901030 -0.575095 0.311630
C 6.256707 -0.066372 0.751211
C -3.568041 -0.397225 0.282343
C 3.939404 -0.037856 0.515027
C -3.961758 -1.338498 1.248986
C 4.292518 -0.929864 1.553174
C -5.079276 1.045114 -1.341905
C 5.497380 1.449882 -1.028214
C -7.249724 -0.334660 -0.031935
C 7.613294 0.239500 0.524409
C -2.224260 0.031686 -0.078912
C 2.605940 0.276146 0.045866
C -6.416311 1.303113 -1.703290
C 6.852776 1.763593 -1.263989
C -7.471359 0.612669 -1.045615
C 7.897135 1.168258 -0.500019
C -1.061310 -0.405467 0.500736
C 1.386729 -0.404873 0.705763
H -5.890768 -2.057316 1.875713
H -3.352813 -1.939730 1.921401
H 6.178944 -1.503599 2.368757
H 3.624492 -1.527927 2.168725
H -4.272517 1.581505 -1.852546
H 4.691579 1.903065 -1.610823
H -8.080085 -0.851027 0.457545
H 8.417525 -0.217663 1.111074
H -2.156141 0.771970 -0.889007
H -6.649037 2.030535 -2.485513
H 7.111269 2.480389 -2.051031
H 8.938537 1.435296 -0.710469
H -1.037656 -1.136576 1.315494
H 0.348614 0.719678 -0.637819


