%chk=000257368.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257368

0 1
Br -2.218035 -4.135362 1.798896
O 1.337244 -1.742096 0.216340
O -2.377118 1.160902 0.630149
O 0.766059 -0.326095 -1.448792
O -2.241647 -0.295623 -1.089256
C -0.516134 -0.337176 0.668925
C 0.077984 0.726897 1.620037
C 0.913145 1.881545 1.016941
C 2.351901 1.439586 0.671829
C -0.993473 -1.553269 1.512537
C 0.234022 2.542713 -0.182010
C 0.554428 -0.759506 -0.343632
C -1.761198 0.163107 -0.080304
C 3.362186 2.578638 0.868335
C -1.490125 -2.708568 0.657076
C 4.779560 2.145522 0.499297
C 2.437254 -2.281157 -0.588627
C -3.633527 1.701630 0.097085
C 1.895901 -3.260485 -1.607363
C -3.353543 2.601611 -1.086041
H 0.704117 0.208659 2.377127
H -0.767600 1.179529 2.186103
H 0.978143 2.650030 1.834446
H 2.648032 0.571776 1.290802
H 2.400654 1.086889 -0.378662
H -1.780863 -1.215089 2.219657
H -0.144047 -1.900338 2.144975
H -0.804212 2.816616 0.046238
H 0.217644 1.883238 -1.062691
H 0.763275 3.453121 -0.482783
H 3.067168 3.450854 0.251731
H 3.340949 2.927486 1.919226
H -2.295760 -2.414375 -0.043695
H -0.669702 -3.160435 0.066470
H 5.493178 2.964724 0.642423
H 5.118725 1.304005 1.113300
H 4.845211 1.834754 -0.549898
H 2.978264 -1.437439 -1.053221
H 3.049085 -2.759362 0.198193
H -4.294991 0.854801 -0.158481
H -4.008086 2.244368 0.984291
H 2.705943 -3.748303 -2.163562
H 1.294670 -4.049373 -1.138027
H 1.254046 -2.753881 -2.345420
H -4.256034 3.133405 -1.409803
H -2.585523 3.352068 -0.854222
H -2.986471 2.021758 -1.948637


%chk=000257368-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257368

0 1
Br -2.275610 -4.132971 2.041973
O 1.330820 -1.804895 0.163432
O -2.463056 1.145955 0.563273
O 0.726197 -0.333955 -1.534747
O -2.200925 -0.321184 -1.219698
C -0.531461 -0.334739 0.617788
C 0.100165 0.718734 1.607120
C 0.992829 1.887268 1.080944
C 2.447104 1.454031 0.724026
C -1.052060 -1.527105 1.517538
C 0.339780 2.713787 -0.053678
C 0.529851 -0.805933 -0.395270
C -1.769893 0.172245 -0.152994
C 3.475336 2.604893 0.839722
C -1.683599 -2.684602 0.738605
C 4.908616 2.157644 0.479182
C 2.466376 -2.297955 -0.679757
C -3.768191 1.595785 -0.023343
C 1.999237 -3.417729 -1.612826
C -3.552873 2.673060 -1.089146
H 0.703582 0.139815 2.333537
H -0.753568 1.150795 2.159938
H 1.085700 2.559303 1.963508
H 2.763911 0.634390 1.403065
H 2.483107 1.049647 -0.305948
H -1.781804 -1.111309 2.236574
H -0.190600 -1.908542 2.089934
H -0.651240 3.092739 0.251473
H 0.213710 2.105802 -0.967965
H 0.970326 3.583204 -0.314756
H 3.177011 3.443007 0.179146
H 3.460394 3.002741 1.875407
H -2.595450 -2.414997 0.189218
H -0.966671 -3.187084 0.074220
H 5.629779 2.990028 0.575190
H 5.247110 1.338954 1.142596
H 4.956946 1.787061 -0.562310
H 2.874003 -1.443911 -1.248583
H 3.201150 -2.651012 0.061251
H -4.280742 0.713547 -0.445906
H -4.319686 1.976802 0.850915
H 2.863780 -3.816844 -2.175017
H 1.550140 -4.248363 -1.040826
H 1.261757 -3.039868 -2.340610
H -4.533966 3.028764 -1.455077
H -3.005105 3.537830 -0.677055
H -2.991522 2.267471 -1.946755


