%chk=000222145.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000222145

0 1
Br 0.938820 -0.269306 -2.292535
O -3.242003 -1.192987 1.012441
O -0.678426 1.974780 -0.761573
O -3.978360 0.267907 -0.552906
O -1.026346 1.353311 1.386027
O 3.790806 0.190440 -1.201642
O 4.650555 -0.289061 1.592151
O -2.247064 -2.305468 -2.242720
N -1.516220 -0.145930 -1.912663
C -1.568627 -0.224066 -0.430939
C -0.728518 -1.399424 0.125201
C 0.705563 -1.073194 0.428322
C -3.072913 -0.332473 -0.024485
C -1.062367 1.096924 0.209268
C 1.601166 -0.615208 -0.542445
C 1.185429 -1.260089 1.742618
C -2.012013 -1.208699 -2.712879
C 2.947488 -0.349457 -0.239176
C 2.504607 -0.990181 2.074112
C 3.401019 -0.526954 1.085457
C -4.604488 -1.384614 1.533360
C -0.017656 3.221229 -0.344636
C -2.129410 -0.870655 -4.170615
C -4.983805 -0.206044 2.401218
C 1.430971 2.928659 -0.028306
C 4.335182 -0.789636 -2.130487
C 5.648739 0.321377 0.734261
H -1.227878 -1.793555 1.043174
H -0.775954 -2.254497 -0.598529
H -1.594770 0.816762 -2.278691
H 0.498408 -1.607975 2.517810
H 2.872041 -1.121233 3.092572
H -4.468234 -2.325234 2.097945
H -5.286619 -1.530780 0.677318
H -0.573775 3.643788 0.510447
H -0.156349 3.833377 -1.254165
H -1.239197 -0.371371 -4.574015
H -2.997899 -0.225324 -4.367418
H -2.278651 -1.792843 -4.757392
H -5.151204 0.699073 1.797603
H -4.190792 0.035127 3.123268
H -5.902806 -0.400746 2.966259
H 1.903952 2.323590 -0.819846
H 1.534668 2.356333 0.905449
H 2.015360 3.849041 0.080135
H 4.838065 -0.149087 -2.863466
H 5.040024 -1.437567 -1.602899
H 3.541171 -1.374184 -2.603210
H 6.015785 -0.421947 0.021550
H 6.420867 0.604290 1.459532
H 5.237962 1.194581 0.214439


%chk=000222145-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000222145

0 1
Br 1.098501 -2.552658 -2.176281
O -3.338173 -1.394801 0.805551
O -0.895120 2.272352 -0.246571
O -3.995104 0.365031 -0.574390
O -1.447927 1.291167 1.794792
O 3.952212 -1.574298 -1.684777
O 4.995177 -0.090199 0.547074
O -2.501726 -1.714357 -2.329601
N -1.336279 0.177312 -1.689098
C -1.571011 -0.072628 -0.262119
C -0.685995 -1.242543 0.306210
C 0.810255 -0.964009 0.303273
C -3.107847 -0.350934 -0.062977
C -1.305296 1.216137 0.555710
C 1.709554 -1.415093 -0.700892
C 1.381965 -0.257955 1.399593
C -1.847671 -0.672734 -2.651331
C 3.099002 -1.132330 -0.655782
C 2.755620 0.042596 1.465750
C 3.617717 -0.368771 0.429804
C -4.776303 -1.718967 1.080143
C -0.618740 3.585314 0.426812
C -1.566516 -0.291180 -4.096121
C -5.318961 -0.843392 2.211920
C 0.881798 3.737650 0.679410
C 4.831176 -2.706063 -1.296627
C 5.576282 0.730380 -0.542876
H -1.024049 -1.424487 1.339027
H -0.937317 -2.134583 -0.290070
H -0.905189 1.068514 -1.940487
H 0.721223 0.055681 2.214591
H 3.181369 0.588656 2.312911
H -4.746665 -2.785833 1.351863
H -5.343467 -1.578685 0.143925
H -1.200896 3.616327 1.363479
H -1.002438 4.331267 -0.287343
H -1.105080 0.705393 -4.202794
H -2.511614 -0.316705 -4.663692
H -0.888495 -1.041808 -4.539004
H -5.341897 0.216901 1.910682
H -4.699783 -0.943501 3.119748
H -6.350773 -1.156085 2.458484
H 1.453659 3.646628 -0.259963
H 1.243769 2.972705 1.386310
H 1.082325 4.735175 1.112462
H 5.444623 -2.916563 -2.185402
H 5.471267 -2.423471 -0.441015
H 4.218098 -3.590624 -1.044008
H 5.416518 0.251176 -1.524199
H 6.650108 0.799046 -0.312393
H 5.124421 1.740648 -0.535410


