%chk=000299189.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299189

0 1
Br -7.849371 0.240923 -1.741730
S -2.172372 -0.126028 1.212735
O -1.205834 -0.010660 -0.188069
O 4.303278 -0.133177 0.229263
O -1.929975 1.055504 1.996645
O -1.969740 -1.439658 1.763065
C 0.821680 -1.295623 -0.122533
C 0.858378 1.180493 0.105938
C 2.226981 -1.319983 -0.054143
C 2.263722 1.150875 0.173800
C 0.176166 -0.045455 -0.032596
C 2.911326 -0.096483 0.081528
C 0.003844 -2.532567 -0.273547
C 0.077757 2.447645 0.186974
C 2.994865 -2.599359 -0.097558
C 3.068616 2.393338 0.363277
C 5.015453 0.000337 -1.042510
C -3.702907 -0.027585 0.421238
C 6.477544 0.120059 -0.684737
C -4.338925 -1.196395 -0.010230
C -4.299561 1.220618 0.214376
C 6.898147 -0.549351 0.580412
C -5.577357 -1.122832 -0.655646
C -5.537786 1.307222 -0.429838
C -6.159218 0.131324 -0.858335
C 7.319506 0.766915 -1.494229
H 0.583047 -3.398281 -0.611662
H -0.466416 -2.801315 0.692786
H -0.813220 -2.382495 -0.994127
H -0.741520 2.456843 -0.546454
H -0.386365 2.548309 1.187778
H 0.683436 3.343217 0.012075
H 2.951095 -3.062656 -1.091665
H 4.056241 -2.440138 0.154829
H 2.603359 -3.324574 0.630391
H 3.033397 3.037838 -0.524460
H 4.127383 2.161161 0.568158
H 2.704031 2.978350 1.219933
H 4.817751 -0.908045 -1.641079
H 4.629972 0.888355 -1.573898
H -3.874729 -2.175296 0.161624
H -3.804541 2.135627 0.562217
H 6.875759 -1.642779 0.475142
H 6.203460 -0.300923 1.403334
H 7.906766 -0.262461 0.899174
H -6.074931 -2.034335 -0.992370
H -6.004647 2.280751 -0.591399
H 7.025318 1.255897 -2.408508
H 8.376736 0.856451 -1.297571


%chk=000299189-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000299189

0 1
Br -7.800033 -1.686685 -1.730823
S -2.406991 0.634548 1.292933
O -1.113862 0.822154 -0.431889
O 4.341403 -0.036451 0.283564
O -2.806437 2.086987 1.933566
O -1.803745 -0.559980 2.238749
C 0.728215 -0.742871 -0.324937
C 1.056793 1.709600 0.160259
C 2.118190 -0.954470 -0.180577
C 2.446463 1.492175 0.294652
C 0.201712 0.596703 -0.185902
C 2.952699 0.169606 0.104282
C -0.214963 -1.887332 -0.622420
C 0.451824 3.078555 0.373785
C 2.714354 -2.346710 -0.281628
C 3.386548 2.627756 0.650371
C 5.141913 -0.052210 -0.983563
C -3.943183 -0.029514 0.430416
C 6.583125 -0.344584 -0.627140
C -4.081473 -1.420126 0.288424
C -4.893197 0.894236 -0.035542
C 6.832856 -1.611071 0.165637
C -5.238597 -1.914677 -0.353912
C -6.048161 0.396923 -0.680902
C -6.200290 -0.998612 -0.834370
C 7.572691 0.491819 -1.035807
H 0.221414 -2.599899 -1.344049
H -0.443312 -2.449238 0.304862
H -1.165439 -1.505260 -1.026645
H -0.591773 3.104961 0.026809
H 0.449657 3.344841 1.449019
H 1.029257 3.862005 -0.149989
H 2.733918 -2.712837 -1.327075
H 3.743463 -2.356965 0.109695
H 2.118162 -3.071013 0.300983
H 3.450441 3.371987 -0.167259
H 4.397803 2.245780 0.857176
H 3.028861 3.169055 1.545089
H 4.725661 -0.840684 -1.646054
H 5.037890 0.928312 -1.487222
H -3.323698 -2.099673 0.691374
H -4.748776 1.968029 0.118465
H 6.459619 -2.501600 -0.378358
H 6.289375 -1.570570 1.127360
H 7.906347 -1.755854 0.372191
H -5.385579 -2.991379 -0.473418
H -6.811612 1.085472 -1.052711
H 7.359322 1.413165 -1.590922
H 8.626743 0.275194 -0.828748


