%chk=000277379.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000277379

0 1
Br 5.587134 0.084403 1.360166
O -0.240672 0.221000 -2.137002
C -0.289120 0.110084 -0.691155
C 1.148767 0.134041 -0.172354
C -1.141507 1.268003 -0.182286
C -0.887075 -1.266230 -0.421298
C 1.442723 0.521425 1.142087
C 2.182799 -0.280703 -1.023838
C -2.497120 1.085829 0.119136
C -1.031609 -1.719195 0.898929
C -0.580047 2.551466 -0.080599
C -1.283309 -2.085578 -1.485959
C 2.762613 0.507102 1.603122
C 3.505896 -0.296970 -0.574645
C -3.277724 2.169250 0.536101
C -1.569468 -2.983884 1.147537
C -1.361358 3.631563 0.334630
C -1.820597 -3.351165 -1.231845
C 3.778215 0.099706 0.736061
C -2.712324 3.442117 0.646254
C -1.964535 -3.802016 0.083224
H 0.643805 0.841179 1.813100
H 1.942639 -0.595931 -2.043912
H -2.954456 0.098563 0.025671
H -0.724111 -1.088385 1.731577
H 0.472450 2.710244 -0.318575
H -1.169026 -1.729373 -2.513579
H -0.117521 1.154939 -2.406860
H 2.987273 0.809994 2.626290
H 4.306244 -0.619856 -1.241434
H -4.330290 2.017521 0.771540
H -1.678514 -3.334340 2.172384
H -0.917979 4.622945 0.415315
H -2.125541 -3.985441 -2.062515
H -3.320683 4.284764 0.970814
H -2.381271 -4.787973 0.279916


%chk=000277379-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000277379

0 1
Br 5.670742 0.070796 1.574493
O -0.173878 0.250230 -2.192216
C -0.242201 0.110038 -0.706254
C 1.195760 0.162138 -0.138960
C -1.139742 1.254591 -0.178516
C -0.852809 -1.286005 -0.459915
C 1.482464 0.646828 1.160876
C 2.258106 -0.360427 -0.918011
C -2.482208 1.041126 0.216733
C -0.763272 -1.896177 0.816496
C -0.640222 2.586523 -0.196209
C -1.548147 -1.957057 -1.494554
C 2.799361 0.623311 1.674380
C 3.579781 -0.390677 -0.423181
C -3.304976 2.128533 0.588857
C -1.358474 -3.154165 1.054159
C -1.462044 3.673802 0.168461
C -2.137539 -3.220362 -1.258676
C 3.834339 0.104194 0.872514
C -2.801252 3.448274 0.564435
C -2.048043 -3.823470 0.016206
H 0.680995 1.059483 1.783161
H 2.039096 -0.742056 -1.919841
H -2.886268 0.024375 0.234418
H -0.220007 -1.397678 1.626286
H 0.403769 2.774277 -0.477923
H -1.609250 -1.483623 -2.477472
H -0.001930 1.205002 -2.397909
H 3.009481 1.004017 2.678006
H 4.392350 -0.794482 -1.034088
H -4.340614 1.943286 0.895129
H -1.278078 -3.613667 2.045759
H -1.057989 4.692147 0.149643
H -2.666919 -3.730991 -2.071236
H -3.441182 4.289836 0.852024
H -2.504497 -4.802869 0.198922


