%chk=000094688.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094688

0 1
 Br   5.542200       1.848600     -0.8301000    
 O   0.1846000       1.013200       1.628300    
 O    1.203600      -2.069700      0.7194000    
 O    2.552200       2.422900     -0.2244000    
 N   -4.070300      0.3732000     -0.2333000    
 N  -0.3289000      0.6765000     -0.6063000    
 C   -2.652100     -1.0100000E-02 -0.2004000    
 C   -2.578600      -1.121800      -1.249400    
 C   -3.990200      -1.692300      -1.331400    
 C   -4.801100     -0.8933000     -0.3249000    
 C   -1.707200       1.139300     -0.5275000    
 C   -4.486600       1.146600      0.9303000    
 C   -5.960700       1.505700      0.8522000    
 C   0.5007000      0.6566000      0.4964000    
 C    1.885800      0.1819000      0.2451000    
 C    2.162800      -1.165900      0.3716000    
 C    2.858500       1.097500     -0.1076000    
 C    3.462100      -1.615200      0.1363000    
 C    4.157900      0.6484000     -0.3428000    
 C    4.459700     -0.7079000     -0.2207000    
 C    1.605600      -3.434200      0.8194000    
 H   -2.392300     -0.4415000      0.7772000    
 H   -1.858000      -1.894100     -0.9581000    
 H   -2.282900     -0.7460000      -2.236500    
 H   -4.385700      -1.555700      -2.344800    
 H   -4.009400      -2.763200      -1.105300    
 H   -5.828700     -0.7674000     -0.6803000    
 H   -4.822000      -1.423700      0.6360000    
 H   -1.766300       1.928200      0.2296000    
 H   -1.947200       1.587800      -1.498300    
 H   -4.289600      0.6107000       1.867200    
 H   -3.921500       2.084500      0.9711000    
 H   2.2200000E-02  0.3637000      -1.507100    
 H   -6.205800       1.988300     -0.1002000    
 H   -6.608000      0.6323000      0.9782000    
 H   -6.212400       2.209700       1.652900    
 H    3.772100      -2.651700      0.2113000    
 H    5.467100      -1.075100     -0.4003000    
 H    3.359400       2.903000     -0.4779000    
 H    2.346000      -3.580700       1.613200    
 H    1.942200      -3.828500     -0.1455000    
 H   0.7187000      -4.010000       1.104100    


%chk=000094688-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000094688

0 1
Br 5.178008 1.725900 -1.921019
O -0.084371 0.336621 1.530525
O 1.564103 -2.000890 1.408446
O 2.070181 1.853317 -1.406749
N -4.109638 0.274766 -0.127236
N -0.376832 0.608687 -0.757376
C -2.743726 -0.216310 -0.495785
C -2.936573 -1.010797 -1.821350
C -4.361175 -0.624105 -2.304285
C -5.113947 -0.412859 -0.975269
C -1.790014 1.002220 -0.623340
C -4.388774 0.302023 1.323758
C -5.624881 1.150776 1.674632
C 0.388989 0.315229 0.352721
C 1.843125 -0.036769 0.080580
C 2.439776 -1.165033 0.723121
C 2.671209 0.789491 -0.722602
C 3.832263 -1.415129 0.620438
C 4.063439 0.527997 -0.818241
C 4.645747 -0.554600 -0.145530
C 2.126839 -3.113368 2.178582
H -2.327252 -0.878044 0.295162
H -2.887415 -2.097395 -1.624590
H -2.152352 -0.777153 -2.563782
H -4.338252 0.323467 -2.873108
H -4.826237 -1.398345 -2.938739
H -6.024297 0.201959 -1.093947
H -5.422998 -1.400985 -0.544648
H -1.897504 1.626305 0.282191
H -2.081076 1.608406 -1.499501
H -4.523908 -0.735623 1.728521
H -3.500641 0.722660 1.831294
H 0.095554 0.722672 -1.655232
H -5.500851 2.180022 1.293661
H -6.547121 0.729538 1.234457
H -5.764491 1.193713 2.770524
H 4.289787 -2.271282 1.120983
H 5.720835 -0.737880 -0.223924
H 2.767106 2.401809 -1.858493
H 2.835484 -2.749816 2.946912
H 2.629560 -3.848064 1.519433
H 1.260219 -3.582531 2.665505


