%chk=000257177.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257177

0 1
Br 2.784007 4.246504 0.438441
O 0.620165 -0.400929 2.539248
O 0.933895 0.833522 -2.103531
O 1.762518 -3.419032 -0.685776
N 1.173959 -1.885288 0.932097
N 1.346597 -1.260236 -1.380868
C 0.636089 0.508562 0.287095
C -0.844996 0.958510 0.310755
C 1.599572 1.650715 0.710505
C -1.827835 -0.174993 -0.005625
C 0.795489 -0.582000 1.357073
C 0.972355 0.091920 -1.147740
C -3.273436 0.341738 -0.002683
C 1.455643 2.911978 -0.124686
C -4.269573 -0.784708 -0.312799
C 1.452630 -2.284622 -0.402217
C -5.708989 -0.276373 -0.312361
H -0.983787 1.786619 -0.416848
H -1.072158 1.387988 1.310392
H 2.647045 1.278891 0.666741
H 1.416709 1.886359 1.786908
H -1.598579 -0.624026 -0.992191
H -1.728534 -0.993233 0.735242
H -3.514329 0.792407 0.980056
H -3.388522 1.155926 -0.744646
H 0.464520 3.384477 -0.010298
H 1.620932 2.726675 -1.207035
H -4.034394 -1.237678 -1.296164
H -4.161868 -1.599902 0.429801
H 1.264188 -2.616282 1.658994
H 1.563255 -1.532556 -2.355649
H -5.990613 0.143963 0.660026
H -6.414139 -1.085973 -0.534078
H -5.863516 0.505678 -1.064679


%chk=000257177-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257177

0 1
Br 2.814930 4.255164 0.590915
O 0.464812 -0.471457 2.514726
O 0.821917 0.766906 -2.184380
O 2.232697 -3.380621 -0.646788
N 1.340573 -1.880583 0.909371
N 1.544474 -1.263766 -1.362176
C 0.620156 0.445755 0.242502
C -0.869717 0.927979 0.261756
C 1.602518 1.607791 0.691984
C -1.902052 -0.188686 -0.011037
C 0.786683 -0.652440 1.312806
C 0.986074 0.014860 -1.186914
C -3.349756 0.352391 -0.019810
C 1.466015 2.905207 -0.111740
C -4.405574 -0.748304 -0.270376
C 1.743128 -2.255988 -0.384376
C -5.849373 -0.201987 -0.282603
H -0.981808 1.717333 -0.503310
H -1.060593 1.376531 1.254759
H 2.646914 1.246853 0.626343
H 1.389513 1.802868 1.758377
H -1.692762 -0.668099 -0.989973
H -1.818660 -0.978867 0.762550
H -3.561752 0.848562 0.950031
H -3.445099 1.135482 -0.800441
H 0.493110 3.398322 0.020040
H 1.699192 2.789888 -1.177977
H -4.189762 -1.247564 -1.237052
H -4.310600 -1.528721 0.511859
H 1.468836 -2.592091 1.637095
H 1.815976 -1.523393 -2.316833
H -6.101698 0.274539 0.683405
H -6.584260 -1.007500 -0.463509
H -5.979752 0.558235 -1.075723


