%chk=000259018.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259018

0 1
Br 4.259620 -1.816000 -0.171667
F 2.357837 3.022402 -0.063477
O -1.158711 -1.763251 0.095550
O 1.320870 -2.316086 -0.028279
C -3.452028 -0.258937 0.211989
C -2.086020 0.437110 0.146967
C -4.598553 0.757453 0.270511
C -0.952733 -0.551300 0.088701
C 0.438745 -0.053153 0.021751
C -5.955536 0.061108 0.335699
C 1.500921 -0.989158 -0.033234
C 0.744914 1.324161 0.010804
C 2.857876 -0.545123 -0.098768
C 2.070888 1.717772 -0.053290
C 3.147575 0.805232 -0.109034
H -3.487146 -0.932265 1.092593
H -3.572985 -0.927925 -0.664314
H -1.958768 1.100301 1.029909
H -2.045526 1.105167 -0.740534
H -4.563519 1.422020 -0.615123
H -4.476736 1.418244 1.151270
H -6.773451 0.789506 0.376855
H -6.041253 -0.577641 1.222755
H -6.127457 -0.574772 -0.540839
H -0.052597 2.068489 0.052329
H 4.179625 1.167993 -0.158811
H 0.305249 -2.588147 0.021089


%chk=000259018-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000259018

0 1
Br 4.332777 -1.849158 -0.184599
F 2.410158 3.109306 -0.064928
O -1.144056 -1.823181 0.099357
O 1.301502 -2.367859 -0.029234
C -3.470882 -0.269679 0.216653
C -2.093401 0.417718 0.152605
C -4.630200 0.750070 0.270338
C -0.923026 -0.551728 0.092207
C 0.468489 -0.056731 0.021992
C -6.012842 0.066592 0.334229
C 1.541912 -1.023657 -0.036512
C 0.771671 1.335719 0.011410
C 2.887912 -0.554665 -0.103912
C 2.104036 1.734557 -0.054728
C 3.177419 0.817312 -0.113122
H -3.510646 -0.932331 1.101900
H -3.592240 -0.932124 -0.661345
H -1.957293 1.080188 1.033195
H -2.043238 1.087305 -0.731664
H -4.585254 1.409759 -0.620762
H -4.503785 1.409792 1.153579
H -6.829580 0.810213 0.369987
H -6.097795 -0.572978 1.232645
H -6.178567 -0.575956 -0.550719
H -0.017252 2.090387 0.054193
H 4.206488 1.182167 -0.164306
H 0.268794 -2.487838 0.022944


