%chk=000186455.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186455

0 1
Br 1.898555 1.659596 2.955191
S -0.082984 -1.815851 1.133266
O -0.665155 1.568549 -0.756002
O -0.732413 -0.380993 -1.913160
O -4.729857 -0.338516 0.516665
N -2.779163 -1.280303 -0.184598
C -1.978900 -0.111978 0.218916
C -1.140963 -0.381281 1.467858
C 1.545845 -1.341702 1.784920
C 2.191549 -0.350367 0.879853
C -1.064435 0.269259 -0.954958
C -4.170324 -1.291165 0.002608
C 2.434160 0.981698 1.244550
C 2.602286 -0.767178 -0.402677
C 3.079778 1.873592 0.381393
C 3.243486 0.114265 -1.271570
C -4.858183 -2.538072 -0.467997
C 3.489534 1.435661 -0.878984
C 0.209709 2.154344 -1.757402
H -2.680697 0.757516 0.432653
H -0.547898 0.516992 1.738671
H -1.796141 -0.604160 2.334971
H 2.136901 -2.284891 1.831648
H 1.459625 -1.005548 2.837475
H -2.278615 -2.049568 -0.629310
H 2.403913 -1.792379 -0.722457
H 3.268095 2.904061 0.687922
H 3.554790 -0.227870 -2.258905
H -5.942903 -2.460374 -0.282880
H -4.727244 -2.707295 -1.545809
H -4.505231 -3.435482 0.058369
H 4.002350 2.120275 -1.552882
H 0.949329 1.420143 -2.098333
H 0.679138 2.982045 -1.215028
H -0.410440 2.504475 -2.587375


%chk=000186455-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186455

0 1
Br 1.875414 1.282265 3.322790
S -0.118666 -1.919204 0.654807
O -0.570118 1.457706 -1.055747
O -1.550880 -0.164477 -2.409649
O -4.324819 -0.809915 1.565891
N -3.056678 -1.116488 -0.348453
C -2.133950 -0.029891 -0.007664
C -1.149972 -0.395585 1.130201
C 1.517328 -1.493673 1.539052
C 2.294508 -0.369753 0.891808
C -1.405814 0.382587 -1.291153
C -4.124431 -1.430151 0.474174
C 2.546164 0.883119 1.506313
C 2.839803 -0.563739 -0.409501
C 3.297293 1.899403 0.874531
C 3.598853 0.429992 -1.056185
C -5.025777 -2.559720 -0.009250
C 3.828434 1.669569 -0.412600
C 0.220132 1.935040 -2.219312
H -2.722216 0.835040 0.362781
H -0.462772 0.446286 1.307421
H -1.725187 -0.622159 2.040595
H 2.075397 -2.443665 1.481737
H 1.285511 -1.290816 2.594722
H -2.925594 -1.559201 -1.262740
H 2.643230 -1.519475 -0.909545
H 3.470306 2.850826 1.385515
H 4.015068 0.240057 -2.051367
H -6.068473 -2.200371 -0.039516
H -4.747594 -2.946684 -1.004300
H -4.986228 -3.388763 0.718556
H 4.421554 2.450894 -0.899735
H 0.821190 1.107296 -2.628889
H 0.863089 2.725980 -1.810924
H -0.456607 2.325167 -2.997764


