%chk=000279500.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279500

0 1
Br 5.245967 0.587374 1.114903
O 0.635780 0.694383 1.032940
O 0.458249 0.625830 -1.295595
C 2.700271 0.790090 -0.298417
C 2.030624 0.328720 1.018246
C 1.834755 0.240329 -1.464980
C -0.156203 0.211340 -0.061673
C 4.102213 0.180217 -0.428693
C 2.744863 2.316549 -0.361571
C -1.470331 0.968040 0.014009
C -0.350759 -1.296105 -0.004577
C -1.979762 1.354997 1.260541
C -0.574473 -2.018055 -1.183832
C -2.173113 1.263597 -1.161488
C -0.359442 -1.953489 1.232089
C -3.201787 2.029578 1.328817
C -0.789005 -3.397739 -1.126347
C -3.394482 1.938597 -1.085643
C -0.574084 -3.333389 1.286351
C -3.910263 2.318834 0.157831
C -0.786910 -4.056346 0.107873
H 2.123216 -0.758953 1.175911
H 2.407341 0.874931 1.904338
H 2.082307 0.709395 -2.434213
H 1.892338 -0.858669 -1.547920
H 4.628350 0.572967 -1.316652
H 4.073545 -0.920622 -0.503623
H 3.306225 2.750048 0.474258
H 3.193209 2.684255 -1.288766
H 1.718736 2.718993 -0.306710
H -1.413128 1.137815 2.167385
H -0.584604 -1.495323 -2.141538
H -1.756618 0.975807 -2.127697
H -0.202045 -1.380678 2.147782
H -3.600439 2.331505 2.295431
H -0.963413 -3.958796 -2.042630
H -3.943097 2.169739 -1.996614
H -0.580299 -3.844301 2.247604
H -4.862701 2.842703 0.214124
H -0.955934 -5.130966 0.151644


%chk=000279500-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000279500

0 1
Br 5.430495 0.605960 1.058472
O 0.652366 0.751094 1.076513
O 0.473658 0.687900 -1.334908
C 2.745805 0.804670 -0.287578
C 2.063068 0.320450 1.020890
C 1.873210 0.247528 -1.460552
C -0.147588 0.276177 -0.060882
C 4.127676 0.153507 -0.448039
C 2.807360 2.345915 -0.351194
C -1.490930 1.003908 0.016539
C -0.334409 -1.258740 -0.009693
C -2.020863 1.385975 1.271533
C -0.560211 -1.994174 -1.199111
C -2.229141 1.257963 -1.163486
C -0.368384 -1.930830 1.236469
C -3.282708 2.016494 1.344404
C -0.802756 -3.384473 -1.144191
C -3.490314 1.888923 -1.087544
C -0.610688 -3.320942 1.291949
C -4.023658 2.267053 0.166403
C -0.828266 -4.053262 0.101737
H 2.130770 -0.785435 1.100576
H 2.529042 0.777591 1.907102
H 2.204019 0.651440 -2.432099
H 1.922917 -0.861979 -1.483590
H 4.644524 0.504020 -1.355822
H 4.082692 -0.948032 -0.429771
H 3.395386 2.748842 0.491716
H 3.280328 2.682816 -1.292943
H 1.789176 2.764882 -0.303180
H -1.436261 1.206639 2.178348
H -0.546380 -1.470427 -2.161573
H -1.806262 0.980335 -2.133372
H -0.205993 -1.357595 2.155937
H -3.685249 2.313887 2.319270
H -0.976062 -3.943771 -2.070496
H -4.054517 2.087086 -2.005843
H -0.633783 -3.831109 2.261454
H -5.003611 2.754236 0.224583
H -1.019362 -5.131320 0.144873


