%chk=000002429.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002429

0 1
 Br   7.415700     -0.8710000      -1.142700    
 O   -1.421600       1.158000      0.5256000    
 O    1.853400      0.1744000      0.9693000    
 N   -2.495200      0.3355000      0.2446000    
 N   -4.712300     -8.4600002E-02 -0.7073000    
 N   -3.510700      -1.756800      0.4875000    
 N   -1.396000      -1.355800       1.411500    
 N   -5.621100      -2.191500     -0.4560000    
 C   -3.624300      0.8809000     -0.4719000    
 C   -3.165400       1.371700      -1.850300    
 C   -4.231700       2.040600      0.3275000    
 C   -2.502500     -0.9525000      0.7076000    
 C  -0.4943000      0.9803000     -0.5382000    
 C   0.7281000       1.855200     -0.3088000    
 C   -4.602100      -1.294600     -0.2359000    
 C    1.424300       1.528500       1.002000    
 C    3.115800     -6.3100003E-02  0.4910000    
 C    4.104800      0.9002000      0.6520000    
 C    3.393100      -1.264400     -0.1512000    
 C    5.389100      0.6589000      0.1640000    
 C    4.677500      -1.505800     -0.6389000    
 C    5.675500     -0.5441000     -0.4814000    
 H   -2.643100      0.5888000      -2.411600    
 H   -4.039000       1.641900      -2.458800    
 H   -2.560800       2.282400      -1.793700    
 H   -4.572000       1.700300       1.312700    
 H   -3.506600       2.846100      0.4891000    
 H   -5.098900       2.467500     -0.1895000    
 H  -0.1836000     -6.8899997E-02 -0.6142000    
 H  -0.8705000       1.268800      -1.513800    
 H   0.4169000       2.906300     -0.2816000    
 H    1.421200       1.731600      -1.148600    
 H    2.171700       2.284900       1.239400    
 H   0.7052000       1.600300       1.827000    
 H  -0.6388000     -0.7159000       1.623800    
 H   -1.326400      -2.297100       1.782800    
 H   -6.450900      -1.926900     -0.9754000    
 H   -5.570800      -3.141200     -0.1039000    
 H    3.980700       1.827100       1.196400    
 H    2.617900      -2.015000     -0.2764000    
 H    6.160000       1.412000      0.3065000    
 H    4.883800      -2.448200      -1.139700    


%chk=000002429-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002429

0 1
Br 6.929020 -1.921620 -0.844151
O -1.252166 1.298825 0.040953
O 1.609353 0.518997 1.141017
N -2.235308 0.273994 -0.361701
N -4.537050 -0.288397 -0.927720
N -3.103963 -1.843148 0.344366
N -0.977887 -1.167370 1.071734
N -5.093335 -2.548119 -0.644501
C -3.647156 0.831407 -0.564288
C -3.606339 1.830599 -1.732778
C -4.135480 1.510960 0.744692
C -2.134903 -0.921690 0.378481
C -0.183713 1.409655 -0.989466
C 0.866179 2.362371 -0.399090
C -4.238287 -1.482156 -0.425444
C 1.289782 1.961706 1.029034
C 2.841188 0.045977 0.650429
C 3.887088 0.872051 0.171179
C 3.006691 -1.360891 0.684738
C 5.097390 0.286377 -0.267966
C 4.211108 -1.944309 0.245652
C 5.249254 -1.112459 -0.228217
H -3.240773 1.327503 -2.643600
H -4.633548 2.182680 -1.924600
H -2.967284 2.700139 -1.497591
H -4.162546 0.778383 1.571336
H -3.475387 2.350783 1.025459
H -5.159225 1.891302 0.588789
H 0.239387 0.406398 -1.179813
H -0.610835 1.806717 -1.928146
H 0.457419 3.389815 -0.347188
H 1.731820 2.387135 -1.086778
H 2.141790 2.568328 1.389842
H 0.444749 2.086520 1.721950
H -0.226069 -0.478822 1.160207
H -0.919450 -2.070016 1.537248
H -5.951862 -2.396125 -1.165061
H -4.833174 -3.464971 -0.295231
H 3.787533 1.960285 0.135768
H 2.189263 -1.986408 1.055249
H 5.907168 0.922780 -0.636129
H 4.335658 -3.030388 0.271836


