%chk=000005178.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005178

0 1
 Br   8.043300      -1.037400      -1.744900    
 Br  -8.106300     -0.7973000       1.905300    
 O    3.524700       2.873700      0.6286000    
 O   -3.579500       2.801600     -0.9064000    
 N    2.816400       1.423200      -1.007100    
 N   -2.871700       1.541300      0.8802000    
 N    2.671200     -0.9456000       1.433300    
 N   -1.896300      -1.561300      -1.789900    
 N    2.708100      -3.160700       1.587700    
 N   -3.317700      -3.003800     -0.8783000    
 N    4.308900      -1.847800       2.830700    
 N   -3.198300      -2.798000      -3.281400    
 N    6.219600       1.843900      0.4381000    
 N   -6.278000       1.811800     -0.5934000    
 C   0.7369000      0.9789000      4.1499998E-02
 C  -0.7978000      0.9721000     -0.1179000    
 C   0.6933000     -0.5420000     -0.2149000    
 C  -0.7586000     -0.5107000      0.3063000    
 C    1.447700       1.848500     -0.9796000    
 C   -1.501400       1.954500      0.8009000    
 C    1.661900      -1.393700      0.6284000    
 C   -1.730800      -1.446400     -0.4384000    
 C    1.704700      -2.763600      0.7398000    
 C   -2.618900      -2.346000      0.1028000    
 C    3.270800      -2.042100       1.987600    
 C   -2.859000      -2.507700      -2.006000    
 C    3.794600       1.980500     -0.1763000    
 C   -3.850400       2.005800     -5.2999998E-03
 C    5.146100       1.416100     -0.2986000    
 C   -5.203800       1.464900      0.1837000    
 C    5.579400      0.4052000      -1.128000    
 C   -5.638400      0.5557000       1.122800    
 C    6.961800      0.2187000     -0.8811000    
 C   -7.022600      0.3488000      0.9025000    
 C    7.331400       1.121300      9.1600001E-02
 C   -7.391600       1.137800     -0.1646000    
 H    1.045700       1.242600       1.064700    
 H   -1.117500       1.114600      -1.161600    
 H   0.7827000     -0.7920000      -1.281700    
 H  -0.8291000     -0.6414000       1.396400    
 H    1.044700       1.710900      -1.988200    
 H    1.377900       2.908100     -0.7144000    
 H   -1.096200       1.930100       1.817700    
 H   -1.428100       2.977200      0.4177000    
 H    3.055500      0.6740000      -1.647600    
 H   -3.111700      0.8701000       1.601800    
 H    2.931200      1.7300000E-02   1.597200    
 H   -1.399900      -1.042700      -2.502000    
 H    1.064900      -3.486100      0.2539000    
 H   -2.793100      -2.554700       1.148500    
 H    4.660100     -0.9240000       3.063900    
 H    4.789300      -2.626800       3.269300    
 H   -2.768300      -2.342300      -4.080400    
 H   -3.906700      -3.492100      -3.497100    
 H    6.197000       2.579100       1.131400    
 H   -6.254700       2.464300      -1.365100    
 H    4.980800     -0.1492000      -1.837900    
 H   -5.039900      8.2000002E-02   1.888900    
 H    8.281800       1.316100      0.5691000    
 H   -8.342800       1.281900     -0.6582000    


%chk=000005178-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005178

0 1
Br 8.616393 -0.815731 0.306207
Br -8.539602 -1.026682 -0.191903
O 3.824540 3.499378 -0.654733
O -3.840053 3.476077 0.176511
N 3.043466 1.316204 -0.984841
N -2.997512 1.364667 0.738161
N 2.365301 -1.592948 1.497695
N -2.246875 -1.850939 -1.329979
N 3.813440 -2.861372 0.297984
N -3.670394 -2.970310 0.036056
N 4.233193 -2.650298 2.679769
N -4.080262 -3.115047 -2.352304
N 6.414008 2.615223 -0.253824
N -6.410941 2.493034 -0.071798
C 0.807723 0.849232 -0.091392
C -0.754468 0.830591 -0.097456
C 0.766511 -0.718756 -0.316359
C -0.677829 -0.688682 0.343977
C 1.620990 1.681876 -1.090132
C -1.584233 1.775209 0.780619
C 1.888788 -1.571843 0.159623
C -1.778751 -1.626331 -0.007629
C 2.794519 -2.370443 -0.541171
C -2.668823 -2.338457 0.798386
C 3.518793 -2.377167 1.524919
C -3.380249 -2.660176 -1.246998
C 4.034193 2.236911 -0.704531
C -4.016418 2.223154 0.375109
C 5.385458 1.692187 -0.444578
C -5.357903 1.621237 0.206348
C 5.932308 0.397997 -0.294278
C -5.876051 0.306706 0.217403
C 7.319388 0.585160 -0.009759
C -7.271494 0.429132 -0.061810
C 7.604537 1.962589 0.012274
C -7.589503 1.788083 -0.238756
H 1.175153 1.063724 0.933314
H -1.126019 0.891445 -1.140878
H 0.653226 -0.904825 -1.403967
H -0.562616 -0.719444 1.446751
H 1.251786 1.506100 -2.121801
H 1.551380 2.765649 -0.888167
H -1.205456 1.753266 1.823799
H -1.541074 2.822096 0.430805
H 3.278750 0.319376 -1.001920
H -3.205992 0.371753 0.879410
H 1.908463 -1.156212 2.296254
H -1.795281 -1.523264 -2.181951
H 2.778435 -2.626534 -1.599190
H -2.652435 -2.439687 1.882216
H 4.246342 -2.000226 3.461447
H 5.028397 -3.275779 2.568571
H -4.101879 -2.587458 -3.221153
H -4.860430 -3.737994 -2.154537
H 6.233459 3.621021 -0.297858
H -6.253301 3.500788 -0.147738
H 5.416176 -0.559991 -0.365127
H -5.336409 -0.624962 0.390250
H 8.540758 2.484113 0.190937
H -8.540320 2.264778 -0.460279


