%chk=000264892.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000264892

0 1
Br 3.625418 -2.164458 -1.678440
O 0.940238 -0.578448 0.066439
O 1.600247 0.564832 -1.806014
O -5.181300 -0.264624 1.233177
O -5.151157 0.858823 -0.615032
N -4.605870 0.224054 0.273608
C 4.297941 0.346320 -0.412947
C 4.065238 1.386971 0.693236
C 3.201599 -0.715506 -0.420366
C 5.183152 2.424570 0.714115
C 1.881516 -0.133642 -0.878532
C -0.420698 -0.316875 0.013963
C -1.110166 -0.872409 1.111595
C -1.066486 0.406086 -0.995475
C -3.148146 0.034620 0.182747
C -2.483816 -0.692630 1.190961
C -2.446018 0.580226 -0.905365
H 4.357995 0.848822 -1.403241
H 5.288047 -0.137280 -0.268941
H 4.000138 0.887856 1.680742
H 3.091150 1.894880 0.542500
H 3.097594 -1.198161 0.586220
H 5.014804 3.169706 1.501703
H 5.252053 2.968952 -0.235860
H 6.162344 1.968721 0.902683
H -0.561796 -1.430737 1.870206
H -0.508624 0.826334 -1.839095
H -3.059996 -1.108273 2.026841
H -2.989602 1.140169 -1.676927


%chk=000264892-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000264892

0 1
Br 3.393536 -2.264725 -1.345411
O 0.836981 -0.606815 0.228436
O 1.662820 0.900426 -1.392741
O -5.479412 -0.628872 0.952331
O -5.323019 0.917623 -0.718597
N -4.799206 0.081620 0.114703
C 4.372778 0.349899 -0.366592
C 4.339965 1.541060 0.629339
C 3.190802 -0.597130 -0.158188
C 5.561070 2.466714 0.438948
C 1.848231 0.005680 -0.547395
C -0.555998 -0.354068 0.108221
C -1.333795 -1.118226 1.011846
C -1.153704 0.553824 -0.802208
C -3.325096 -0.072588 0.111882
C -2.730471 -0.980046 1.018111
C -2.556159 0.688893 -0.793094
H 4.359143 0.730019 -1.403963
H 5.309922 -0.219590 -0.229170
H 4.323286 1.157812 1.669602
H 3.410537 2.124150 0.482939
H 3.141159 -1.020204 0.856528
H 5.534034 3.310228 1.151797
H 5.582726 2.887541 -0.583076
H 6.507237 1.917177 0.599405
H -0.827624 -1.810290 1.690112
H -0.542937 1.134905 -1.492612
H -3.362152 -1.553508 1.700593
H -3.058854 1.377390 -1.477243


