%chk=000298649.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298649

0 1
Br 4.211730 0.768500 -1.826491
C -0.309367 -0.028548 -0.139896
C 0.639503 -0.111671 1.060476
C 0.647356 -0.326840 -1.307768
C 1.953324 -0.416242 0.600055
C 1.906462 -0.559936 -0.874041
C -0.877722 1.381673 -0.197745
C -1.387655 -1.101203 -0.163132
C 3.108941 -0.903996 -1.671907
C 0.387962 0.092661 2.405966
C 3.010614 -0.512619 1.493008
C -2.078777 1.682988 0.463687
C -2.411060 -1.018596 -1.123666
C -0.184932 2.401624 -0.866382
C -1.360003 -2.190028 0.717678
C 1.461607 -0.015884 3.309120
C 2.749126 -0.312330 2.860132
C 2.825941 -1.434246 -3.061432
C -2.588208 2.983380 0.438156
C -3.395859 -2.005256 -1.190279
C -0.699182 3.701239 -0.889776
C -2.349604 -3.176455 0.648019
C -1.902004 3.995162 -0.241119
C -3.368869 -3.087150 -0.302983
H 0.273086 -0.343189 -2.315364
H 3.772483 -1.605267 -1.110080
H -0.611009 0.339323 2.759422
H 4.021609 -0.721595 1.150727
H -2.619936 0.901528 0.996989
H -2.439990 -0.175929 -1.814494
H 0.764879 2.191157 -1.360335
H -0.566660 -2.280195 1.460216
H 1.281216 0.141412 4.371431
H 3.568187 -0.383790 3.574357
H 2.208302 -2.343524 -3.014768
H 3.750547 -1.692156 -3.596725
H 2.289237 -0.708710 -3.689018
H -3.521821 3.208886 0.950658
H -4.186874 -1.932309 -1.934876
H -0.155802 4.487012 -1.412416
H -2.321423 -4.017664 1.338861
H -2.300583 5.007131 -0.260846
H -4.137673 -3.855049 -0.355219


%chk=000298649-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000298649

0 1
Br 4.392868 0.651219 -1.883783
C -0.309999 -0.003064 -0.125440
C 0.658708 -0.084315 1.070120
C 0.637628 -0.311192 -1.294075
C 1.966006 -0.408097 0.608165
C 1.917555 -0.566615 -0.867719
C -0.909880 1.424779 -0.202805
C -1.397568 -1.109813 -0.140781
C 3.078499 -0.983872 -1.708623
C 0.416199 0.140083 2.434068
C 3.043856 -0.519292 1.512673
C -2.150606 1.726749 0.414226
C -2.396930 -1.076223 -1.150595
C -0.177526 2.476713 -0.809848
C -1.386039 -2.200893 0.762564
C 1.495311 0.022807 3.347476
C 2.795636 -0.304398 2.889850
C 2.768656 -1.473800 -3.123348
C -2.652546 3.047004 0.414241
C -3.360946 -2.100488 -1.251309
C -0.680314 3.796246 -0.813312
C -2.353044 -3.228336 0.663565
C -1.920977 4.088257 -0.201362
C -3.344184 -3.184523 -0.341852
H 0.275241 -0.353540 -2.323702
H 3.731857 -1.687903 -1.167245
H -0.583565 0.412554 2.790145
H 4.057189 -0.742395 1.161166
H -2.732457 0.925716 0.883888
H -2.424332 -0.235798 -1.854384
H 0.792957 2.262547 -1.272731
H -0.622992 -2.249414 1.545611
H 1.324298 0.195584 4.415858
H 3.618845 -0.380523 3.609025
H 2.126128 -2.373690 -3.066584
H 3.696453 -1.737133 -3.656194
H 2.241351 -0.704304 -3.711494
H -3.614149 3.261790 0.894309
H -4.124586 -2.053096 -2.035912
H -0.101703 4.595721 -1.289762
H -2.329715 -4.062383 1.374255
H -2.311541 5.112030 -0.203600
H -4.092540 -3.981400 -0.416544


