%chk=000286437.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000286437

0 1
Br 5.518354 -0.654162 0.523531
O -4.899800 -2.036602 1.297345
N -2.699376 -0.525180 -0.284557
N -0.496181 -1.341500 -0.165664
C 0.554106 1.320959 -0.069963
C -0.838100 1.107136 -0.215187
C 1.442651 0.174495 0.047370
C -1.313788 -0.287181 -0.245875
C 0.875558 -1.126618 0.001302
C 1.043952 2.653380 -0.040900
C -1.707729 2.220069 -0.315414
C 2.845729 0.301351 0.205844
C -3.190518 -1.919668 -0.456897
C 1.709256 -2.277931 0.113332
C 0.179204 3.725857 -0.146161
C -1.210023 3.509613 -0.283099
C 3.627542 -0.830901 0.311021
C 3.071092 -2.130675 0.266726
C -4.684126 -1.983532 -0.115987
H 2.116796 2.822346 0.067878
H -2.782159 2.061315 -0.411700
H -3.263808 0.181362 -0.757174
H 3.290785 1.298885 0.243288
H -2.618013 -2.593354 0.233670
H -2.994597 -2.302610 -1.482515
H 1.243509 -3.264644 0.076011
H 0.560913 4.747222 -0.122627
H -1.880100 4.364517 -0.359553
H 3.718712 -3.005370 0.354487
H -5.135856 -2.932391 -0.469286
H -5.258272 -1.132823 -0.526809
H -4.375211 -1.339361 1.749062


%chk=000286437-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000286437

0 1
Br 5.537028 -0.707950 0.693538
O -4.363382 -1.890522 1.519943
N -2.708368 -0.543983 -0.545183
N -0.538893 -1.351578 -0.215799
C 0.530871 1.322742 -0.069928
C -0.878509 1.098685 -0.262111
C 1.417065 0.164700 0.068639
C -1.350894 -0.296505 -0.342863
C 0.821569 -1.144547 0.001384
C 1.003204 2.668196 -0.009717
C -1.755724 2.218956 -0.361869
C 2.823204 0.272222 0.273753
C -3.265515 -1.898652 -0.715490
C 1.647212 -2.299002 0.146957
C 0.126361 3.754563 -0.125599
C -1.266536 3.531194 -0.298329
C 3.598732 -0.883437 0.409724
C 3.028362 -2.182290 0.350614
C -4.575350 -2.042331 0.079901
H 2.070083 2.863635 0.132568
H -2.836717 2.077817 -0.475115
H -3.295438 0.235659 -0.841938
H 3.307955 1.249968 0.330288
H -2.503142 -2.602313 -0.345417
H -3.447094 -2.123429 -1.787806
H 1.165067 -3.279323 0.093054
H 0.513572 4.777809 -0.076524
H -1.954305 4.379702 -0.375631
H 3.656723 -3.070321 0.461701
H -4.987249 -3.056106 -0.058719
H -5.331081 -1.309085 -0.285226
H -3.738307 -1.130472 1.652699


