%chk=000148721.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148721

0 1
 Br   6.751400      0.3712000      0.1885000    
 O  -0.1545000       1.428600      0.4205000    
 N   -4.043900     -0.1078000     -0.1857000    
 N   0.7744000     -0.6197000     -0.2562000    
 C   -2.774300      0.5582000      7.7600002E-02
 C   -5.165600      0.7894000      9.7400002E-02
 C   -4.159600      -1.331100      0.6105000    
 C   -1.610400     -0.3819000     -0.2194000    
 C   -5.043000       2.055500     -0.7286000    
 C   -5.453400      -2.049600      0.2791000    
 C  -0.2569000      0.2715000      2.6600000E-02
 C    2.166800     -0.3889000     -0.1526000    
 C    3.048100      -1.405600     -0.4805000    
 C    2.618200      0.8488000      0.2744000    
 C    4.420500      -1.178100     -0.3783000    
 C    3.990600       1.076500      0.3766000    
 C    4.891900      6.3000001E-02  5.0099999E-02
 H   -2.714700      0.9143000       1.114900    
 H   -2.636200       1.428000     -0.5737000    
 H   -6.116000      0.3332000     -0.1974000    
 H   -5.232300       1.044700       1.162400    
 H   -3.381400      -2.054200      0.3540000    
 H   -4.099100      -1.135000       1.688100    
 H   -1.646100     -0.7270000      -1.260000    
 H   -1.606300      -1.255200      0.4407000    
 H   -4.286300       2.742600     -0.3372000    
 H   -4.824900       1.841000      -1.780600    
 H   -5.993800       2.600600     -0.7020000    
 H   -6.328300      -1.569000      0.7278000    
 H   -5.608800      -2.137800     -0.8019000    
 H   -5.421200      -3.067600      0.6847000    
 H   0.5142000      -1.550200     -0.5768000    
 H    2.691500      -2.375700     -0.8152000    
 H    1.986100       1.681600      0.5446000    
 H    5.109300      -1.978400     -0.6364000    
 H    4.342800       2.048700      0.7120000    


%chk=000148721-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000148721

0 1
Br 6.922803 0.267456 0.277811
O -0.096891 1.612380 -0.122510
N -4.071463 -0.089578 0.102455
N 0.796374 -0.551649 -0.299594
C -2.704530 0.392252 0.416675
C -5.116983 0.939243 0.362441
C -4.377640 -1.399131 0.741097
C -1.642523 -0.253668 -0.505260
C -5.154424 2.038754 -0.715738
C -5.460021 -2.198774 -0.009171
C -0.259132 0.366100 -0.287052
C 2.192066 -0.307591 -0.163951
C 3.064607 -1.427034 -0.236011
C 2.735540 0.989498 0.039774
C 4.458459 -1.265101 -0.106862
C 4.131814 1.151479 0.168655
C 4.980550 0.029210 0.095360
H -2.432430 0.214032 1.486368
H -2.653329 1.482328 0.258651
H -6.096150 0.427200 0.376015
H -4.988370 1.402752 1.373201
H -3.446123 -1.996238 0.752054
H -4.676554 -1.269659 1.812859
H -1.954314 -0.061675 -1.549807
H -1.620450 -1.352943 -0.372278
H -4.202088 2.596549 -0.770518
H -5.344033 1.591593 -1.707029
H -5.956111 2.768383 -0.495521
H -6.426185 -1.663289 -0.032873
H -5.146754 -2.376400 -1.052699
H -5.632085 -3.174471 0.482920
H 0.532702 -1.530560 -0.433664
H 2.658084 -2.433927 -0.394676
H 2.065524 1.848978 0.094888
H 5.121445 -2.132786 -0.163758
H 4.547414 2.150884 0.325747


