%chk=000019867.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019867

0 1
 Br  -2.352900       4.511900      -1.240700    
 O    1.325000      -1.622000       2.893500    
 N    4.107000     -0.7478000     -0.6448000    
 N    1.091900      0.1385000       1.384600    
 N   -1.667000     -0.9917000       1.961300    
 N   -2.457300     -0.6576000      -1.431400    
 C    2.698600     -0.7241000     -0.2713000    
 C    2.504000      7.8000002E-02   1.007100    
 C   0.2604000       1.116100      0.7367000    
 C    4.604100      0.6108000     -0.8704000    
 C    4.310300      -1.567300      -1.841100    
 C   -1.124500      0.9390000      0.5369000    
 C   0.6464000     -0.7185000       2.397800    
 C  -0.7384000     -0.4549000       2.933500    
 C   -1.826000     -0.3391000      0.8597000    
 C   0.8401000       2.308600      0.2596000    
 C    6.088300      0.6053000      -1.195300    
 C    3.801300      -2.983100      -1.629900    
 C   -1.897300       1.959600     -4.6500001E-02
 C   6.9100000E-02   3.309300     -0.3371000    
 C   -1.301100       3.140100     -0.4788000    
 C   -2.759600     -0.9233000     -0.1462000    
 C   -3.839600      -1.672300      0.2728000    
 C   -4.678900      -2.191600     -0.7067000    
 C   -3.295500      -1.178900      -2.355200    
 C   -4.408500      -1.944800      -2.048100    
 H    2.316900      -1.729300     -6.1999999E-02
 H    2.083800     -0.3110000      -1.081900    
 H    2.919200       1.080100       1.025700    
 H    3.054400     -0.4358000       1.807600    
 H    4.049700       1.124800      -1.665700    
 H    4.536400       1.225300      2.9100001E-02
 H    3.827000      -1.130700      -2.724100    
 H    5.377800      -1.667200      -2.062600    
 H  -0.8559000     -0.9978000       3.878000    
 H  -0.8976000      0.6040000       3.165000    
 H    1.893200       2.541900      0.3662000    
 H    6.482200       1.626300      -1.132300    
 H    6.293100      0.2573000      -2.212300    
 H    6.657400     -7.0000002E-03 -0.4872000    
 H    4.181800      -3.630700      -2.428200    
 H    2.709700      -3.047600      -1.675200    
 H    4.146800      -3.403700     -0.6792000    
 H   -2.971900       1.832500     -0.1644000    
 H   0.5566000       4.222700     -0.6691000    
 H   -4.054900      -1.857500       1.319300    
 H   -5.543100      -2.785700     -0.4254000    
 H   -3.041100     -0.9570000      -3.386400    
 H   -5.049300      -2.338900      -2.828500    


%chk=000019867-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000019867

0 1
Br -2.549465 5.076407 0.290028
O 1.565190 -1.905076 2.370903
N 3.911742 -0.849979 -1.038989
N 1.062530 0.111998 1.306951
N -1.620335 -1.260199 1.477192
N -2.777225 0.274063 -1.593486
C 2.527619 -0.829308 -0.512406
C 2.437678 0.111913 0.719150
C 0.181730 1.226696 1.097060
C 4.062157 -0.271654 -2.399231
C 4.606354 -2.149047 -0.845426
C -1.188803 1.061600 0.711771
C 0.733875 -0.988410 2.115509
C -0.717509 -1.009996 2.620100
C -1.814802 -0.290457 0.602666
C 0.710427 2.539767 1.234007
C 5.480153 0.264081 -2.680555
C 4.838780 -2.493283 0.638763
C -1.979194 2.219889 0.470295
C -0.080184 3.677509 0.998978
C -1.428173 3.499774 0.617480
C -2.735778 -0.606660 -0.542696
C -3.503321 -1.802926 -0.526263
C -4.330352 -2.098242 -1.627373
C -3.585108 -0.025247 -2.649943
C -4.376241 -1.194436 -2.716101
H 2.205005 -1.842672 -0.203978
H 1.812980 -0.482266 -1.285896
H 2.708032 1.133800 0.413287
H 3.152365 -0.233525 1.483346
H 3.777753 -1.006789 -3.195327
H 3.349594 0.570766 -2.480876
H 4.040947 -2.983457 -1.334918
H 5.585499 -2.087631 -1.353939
H -0.807387 -1.841574 3.333258
H -0.942952 -0.049856 3.133516
H 1.747144 2.671080 1.558073
H 5.515571 0.750003 -3.673512
H 6.237448 -0.540336 -2.677597
H 5.765140 1.003969 -1.912041
H 5.364601 -3.462534 0.725031
H 3.890113 -2.573972 1.199294
H 5.459359 -1.715157 1.118636
H -3.016809 2.097817 0.157048
H 0.340311 4.679390 1.122614
H -3.418929 -2.464587 0.339270
H -4.930400 -3.014212 -1.638658
H -3.589307 0.704262 -3.467913
H -5.005723 -1.386096 -3.590699


