%chk=000222090.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000222090

0 1
Br 2.199214 2.650265 0.660746
O 5.958306 -1.029069 -0.407095
O 5.135238 1.539057 0.591913
O -2.831199 -1.857841 0.637787
O -0.044520 -2.649430 -0.021520
O -0.133392 -1.640445 1.987959
N -1.867645 0.057503 -0.183068
C 1.913334 0.037081 -0.506629
C 2.826570 0.969385 0.017222
C 0.488426 0.374599 -0.608135
C 2.391360 -1.199347 -0.964333
C 4.193631 0.676422 0.088485
C 4.663950 -0.579693 -0.384876
C -0.508162 -0.340928 -0.051693
C 3.749913 -1.507139 -0.907929
C -4.291468 -0.066957 -0.054318
C -2.979835 -0.742953 0.187042
C -5.188749 -0.638787 -0.965806
C -4.633835 1.092595 0.653684
C -0.246223 -1.560649 0.792734
C -6.430792 -0.034315 -1.179673
C -5.879538 1.687729 0.437643
C -6.775145 1.127020 -0.479928
C 6.992108 -0.178772 0.155382
H 0.281294 1.283871 -1.183911
H 1.684662 -1.933523 -1.365502
H 4.123652 -2.468277 -1.265036
H -2.028145 0.971711 -0.612508
H -4.921224 -1.553848 -1.497125
H -3.940321 1.520325 1.378622
H -7.132855 -0.473368 -1.888070
H -6.154627 2.586732 0.988370
H -7.746081 1.594122 -0.646249
H 4.726494 2.377955 0.947190
H 7.052151 0.759632 -0.405942
H 7.886358 -0.796506 0.014133
H 6.790186 0.008839 1.214930
H 0.064108 -3.493195 0.501102


%chk=000222090-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000222090

0 1
Br 2.198527 2.840133 0.225119
O 6.186559 -0.718585 -0.496128
O 5.156591 1.929629 0.025564
O -2.996809 -2.074868 -0.401995
O 0.013213 -2.963275 -0.287478
O -0.856666 -2.184770 1.720804
N -1.870096 -0.054520 -0.161245
C 1.952936 -0.060579 -0.408342
C 2.864607 1.008511 -0.165982
C 0.505276 0.186316 -0.449615
C 2.547859 -1.327844 -0.684528
C 4.273329 0.862381 -0.166713
C 4.823180 -0.434798 -0.406844
C -0.563955 -0.608654 -0.114765
C 3.939890 -1.504167 -0.674252
C -4.330196 -0.044362 -0.226416
C -3.043001 -0.814225 -0.264512
C -5.474864 -0.658937 -0.796904
C -4.453534 1.238391 0.371588
C -0.512558 -1.969942 0.539332
C -6.716568 0.007663 -0.794022
C -5.699356 1.902617 0.377037
C -6.831372 1.292855 -0.211945
C 7.132739 -0.099477 0.458873
H 0.237379 1.209555 -0.754239
H 1.892730 -2.165924 -0.926827
H 4.384195 -2.480521 -0.888026
H -1.943156 0.963339 -0.219850
H -5.365281 -1.658967 -1.228862
H -3.600976 1.706197 0.879441
H -7.593977 -0.471701 -1.241148
H -5.790133 2.886147 0.850485
H -7.797120 1.810045 -0.207006
H 4.643543 2.771285 0.166271
H 7.217884 0.983853 0.287055
H 8.088893 -0.607268 0.262229
H 6.809481 -0.290085 1.499438
H -0.041992 -3.835644 0.190006


