%chk=000114122.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114122

0 1
 Br  -4.202700      -3.211100     -0.8768000    
 Br  -5.445200       3.796200      0.8664000    
 O    1.162800     -0.1445000      0.7854000    
 O   -1.189900      -3.101600     -0.7369000    
 O    1.172200      -1.808100     -0.8481000    
 N    2.765600       1.402600     -0.8317000    
 C   -2.798400      0.6449000      0.1591000    
 C   -3.663800     -0.4321000     -0.1468000    
 C  -0.8826000     -0.8232000     -0.1455000    
 C   -1.410100      0.4328000      0.1558000    
 C   -3.115500      -1.689600     -0.4475000    
 C   -1.733700      -1.882300     -0.4467000    
 C   -3.346600       1.902400      0.4598000    
 C   -5.052200     -0.2199000     -0.1429000    
 C    3.327000      0.5292000      2.5400000E-02
 C    2.554100     -0.2595000      0.8482000    
 C    4.726000      0.3779000      0.1245000    
 C   0.5636000     -0.9991000     -0.1360000    
 C   -4.728300       2.095600      0.4585000    
 C   -5.579400       1.036300      0.1579000    
 C    3.072000      -1.173200       1.747700    
 C    5.277900     -0.5438000       1.030300    
 C    4.450700      -1.317300       1.839700    
 C    5.535100       1.169400     -0.7018000    
 C    4.959600       2.070400      -1.586100    
 C    3.581900       2.147600      -1.611900    
 H  -0.7532000       1.272500      0.3768000    
 H   -2.685900       2.735100      0.6963000    
 H   -5.767000      -1.005200     -0.3688000    
 H   -6.658200       1.170900      0.1532000    
 H    2.420800      -1.772600       2.376600    
 H    6.356000     -0.6642000       1.110400    
 H    4.880700      -2.028300       2.538500    
 H    6.618900       1.087800     -0.6608000    
 H    5.570200       2.690000      -2.232200    
 H    3.075800       2.833800      -2.282900    
 H  -0.2323000      -3.107000     -0.5841000    


%chk=000114122-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114122

0 1
Br -3.978935 -2.399693 -2.438982
Br -5.691406 3.332419 2.037814
O 1.193687 -0.324195 1.101706
O -1.043194 -2.586499 -1.723922
O 1.181600 -1.994486 -0.528560
N 2.617689 0.687986 -1.085490
C -2.858353 0.552587 0.479224
C -3.648036 -0.244837 -0.449360
C -0.859010 -0.769956 -0.061030
C -1.476242 0.267392 0.649479
C -2.993479 -1.294253 -1.170008
C -1.625260 -1.572651 -1.001592
C -3.482285 1.617799 1.213465
C -5.040759 0.071041 -0.592428
C 3.330200 0.267908 0.025480
C 2.617000 -0.284776 1.142137
C 4.771375 0.365024 0.126609
C 0.571065 -1.083321 0.105605
C -4.834747 1.879478 1.035839
C -5.628404 1.109125 0.131242
C 3.266526 -0.688135 2.303787
C 5.430353 -0.062737 1.324373
C 4.689014 -0.571880 2.392574
C 5.467496 0.904667 -1.004914
C 4.745598 1.313996 -2.127080
C 3.317751 1.192719 -2.117890
H -0.874692 0.864631 1.340221
H -2.877794 2.210979 1.906601
H -5.650785 -0.515791 -1.284607
H -6.691349 1.335846 0.009161
H 2.681756 -1.095484 3.133624
H 6.521593 0.015564 1.391484
H 5.192050 -0.895297 3.309379
H 6.559790 0.989822 -0.973943
H 5.246690 1.727752 -3.007281
H 2.732311 1.519710 -2.985039
H -0.052914 -2.629655 -1.484680


