%chk=000135162.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135162

0 1
 Br  5.9599999E-02  -4.372700       1.221500    
 O   -1.831300       3.305700      -1.726000    
 O   -3.740700      -3.638700     -0.8527000    
 N    2.544000       3.014100     -0.2580000    
 N   0.3424000       3.150200     -0.9663000    
 N    3.389800      -1.908000       1.170400    
 N   0.8436000       2.440600       1.219600    
 N   -3.878500      -1.208800       1.132100    
 C    4.342400      0.6753000     -0.6064000    
 C    3.909600       1.253800      0.7469000    
 C    4.698000     -0.8145000     -0.5336000    
 C    3.612100       2.749700      0.6760000    
 C    3.538700      -1.699800     -0.1507000    
 C    2.727300      -2.225600      -1.132900    
 C    1.243100       2.851700      4.8200000E-02
 C   -1.467900       2.573700      0.5064000    
 C   -2.930500       2.419900      0.7653000    
 C   -1.029900       3.043500     -0.8348000    
 C   -3.438000       1.044300      0.4244000    
 C    1.672300      -3.034700     -0.7256000    
 C    2.945200      -1.959200      -2.582100    
 C  -0.5086000       2.315300       1.407800    
 C    2.353800      -2.699500       1.528300    
 C    1.475100      -3.281100      0.6285000    
 C   -3.908200      0.7676000     -0.8446000    
 C   -3.438200      4.6599999E-02   1.372700    
 C   -4.369600     -0.5126000      -1.130400    
 C   -4.333900      -1.456300     -0.1165000    
 C   -4.821800      -2.840600     -0.3876000    
 H    3.550800      0.8277000      -1.348200    
 H    5.222500       1.224000     -0.9637000    
 H    3.021300      0.7297000       1.114500    
 H    4.705600       1.089000       1.483200    
 H    5.495200     -0.9507000      0.2098000    
 H    5.144700      -1.135200      -1.481100    
 H    3.368700       3.138000       1.671800    
 H    4.509500       3.285200      0.3455000    
 H    2.808600       3.323000      -1.188800    
 H   -3.507000       3.178600      0.2201000    
 H   -3.146600       2.628600       1.822400    
 H   0.7117000       3.465900      -1.858200    
 H    1.004400      -3.473900      -1.462700    
 H    2.953400     -0.8863000      -2.793900    
 H    3.884200      -2.408500      -2.921100    
 H    2.144400      -2.392000      -3.192600    
 H  -0.7878000       1.970100       2.399000    
 H    2.255000      -2.851800       2.598800    
 H   -3.929700       1.527900      -1.619100    
 H   -3.078300      0.2149000       2.382500    
 H   -4.742500     -0.7511000      -2.120700    
 H   -5.619600      -2.844000      -1.137900    
 H   -5.216800      -3.290600      0.5296000    
 H   -4.092600      -4.531300      -1.010300    


%chk=000135162-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000135162

0 1
Br 0.012257 -4.049091 2.951991
O -1.855668 3.630788 -1.556186
O -1.972325 -3.479706 -1.527296
N 2.682657 3.222089 -0.388071
N 0.376570 3.494822 -0.882965
N 3.365325 -2.233818 1.151523
N 1.075327 2.586724 1.216035
N -3.139374 -1.523026 0.626008
C 3.787091 0.459446 -0.972983
C 3.837214 1.110620 0.425748
C 3.923639 -1.091584 -0.933370
C 3.802592 2.658773 0.402345
C 2.893032 -1.792317 -0.059633
C 1.532368 -1.986966 -0.456627
C 1.372479 3.096634 0.008104
C -1.323429 2.676976 0.634423
C -2.763569 2.285396 0.927215
C -1.024245 3.287781 -0.655068
C -3.062565 0.913916 0.323953
C 0.666603 -2.664172 0.443766
C 0.980615 -1.499749 -1.783659
C -0.265407 2.397973 1.497758
C 2.526164 -2.872712 2.012095
C 1.175363 -3.100605 1.680469
C -3.319341 0.749477 -1.061170
C -3.009145 -0.260735 1.119049
C -3.463764 -0.552837 -1.586027
C -3.343988 -1.667132 -0.720600
C -3.379598 -3.086771 -1.233532
H 2.837177 0.731949 -1.473007
H 4.606572 0.858665 -1.607317
H 2.991697 0.752941 1.038269
H 4.760600 0.798629 0.952774
H 4.917013 -1.354606 -0.528415
H 3.869881 -1.476801 -1.970743
H 3.718093 3.034623 1.437042
H 4.732585 3.064169 -0.038341
H 2.880051 3.541142 -1.336240
H -3.438693 3.044768 0.493404
H -2.928998 2.259539 2.019948
H 0.599482 3.930630 -1.784674
H -0.376622 -2.841763 0.158370
H 0.731036 -0.421618 -1.737084
H 1.706840 -1.632338 -2.605818
H 0.052101 -2.038894 -2.037222
H -0.463847 1.964921 2.485460
H 2.947736 -3.205197 2.966277
H -3.371996 1.632287 -1.707469
H -2.842536 -0.188022 2.201762
H -3.648335 -0.709108 -2.653980
H -3.983234 -3.159537 -2.160503
H -3.803983 -3.741858 -0.449676
H -1.920494 -4.467615 -1.587315


