%chk=000218747.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218747

0 1
Br -6.969951 2.998458 0.664995
S 7.208153 0.348364 -1.202748
S 7.915025 0.144823 0.718111
O -3.998638 -0.927319 0.087891
O 6.801933 1.152949 1.469127
O 7.655006 -1.171272 1.189549
O 9.171545 0.803000 0.844198
N 3.288055 -0.556969 -0.604945
N -5.562574 0.817437 0.365938
C 0.837970 -0.631310 -0.305039
C -0.443123 0.192369 -0.127919
C 2.077200 0.278185 -0.330266
C -1.679406 -0.713097 -0.100632
C -2.947358 0.114184 0.074042
C 4.545155 0.253780 -0.554362
C 5.656105 -0.604277 -1.156036
C -5.279209 -0.518229 0.234564
C -6.273999 -1.529662 0.243359
C -7.596990 -1.132450 0.393160
C -6.863958 1.133823 0.507427
C -7.923107 0.230596 0.530485
H 0.790962 -1.216818 -1.246806
H 0.925258 -1.378852 0.506895
H -0.386865 0.784197 0.807237
H -0.533481 0.929864 -0.950547
H 1.983839 1.022269 -1.153239
H 2.150658 0.854936 0.617160
H -1.602490 -1.458398 0.717431
H -1.747091 -1.311572 -1.032484
H 3.345555 -1.319761 0.080611
H -2.995891 0.661984 1.029999
H -3.154619 0.797845 -0.766186
H 4.810561 0.590757 0.476351
H 4.402307 1.179441 -1.158321
H 5.793761 -1.560714 -0.609446
H 5.417089 -0.883695 -2.206532
H -5.985916 -2.571724 0.134728
H -8.394101 -1.878512 0.405173
H -8.951372 0.558938 0.648398
H 7.147402 1.801231 2.105475


%chk=000218747-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218747

0 1
Br -7.330359 3.004904 0.536131
S 7.182664 0.522098 -1.466733
S 8.297960 -0.087655 0.664297
O -4.147344 -1.085989 0.088650
O 8.120478 1.570158 1.492604
O 7.316432 -1.136977 1.423239
O 9.879538 -0.417966 0.588107
N 3.267107 -0.293682 -0.428933
N -5.717242 0.674684 0.295309
C 0.794432 -0.536766 -0.258968
C -0.555651 0.194848 -0.089970
C 1.992512 0.432175 -0.280551
C -1.754037 -0.781952 -0.075072
C -3.083120 -0.042236 0.078262
C 4.491320 0.500216 -0.591325
C 5.617089 -0.425524 -1.088554
C -5.454815 -0.655995 0.201020
C -6.476019 -1.642924 0.211246
C -7.807029 -1.202176 0.323520
C -6.996794 1.059666 0.401062
C -8.098746 0.184526 0.422216
H 0.793666 -1.124391 -1.197152
H 0.921764 -1.262680 0.571909
H -0.542910 0.783091 0.850829
H -0.682680 0.926071 -0.915062
H 1.895708 1.126960 -1.138615
H 1.974922 1.063676 0.642133
H -1.643147 -1.503787 0.756980
H -1.772727 -1.370585 -1.012254
H 3.369727 -1.082684 0.222470
H -3.139386 0.531902 1.021995
H -3.276362 0.654944 -0.758242
H 4.827350 1.015923 0.338234
H 4.293283 1.288185 -1.343026
H 5.874962 -1.176481 -0.311855
H 5.329179 -0.968487 -2.007819
H -6.210718 -2.699322 0.132903
H -8.625735 -1.928652 0.335133
H -9.120220 0.557555 0.510149
H 8.828345 1.620125 2.202527


