%chk=000263841.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000263841

0 1
Br 6.941337 1.813771 2.688095
S 2.300911 -1.791075 0.102198
O -1.916372 -1.422541 -0.167680
O -0.834926 0.861014 -2.747717
O -1.302413 1.426451 0.763759
O -0.278768 -2.869627 -0.592510
O -4.648479 0.773845 0.445429
O 2.004454 -2.861155 1.038227
O 2.629868 -2.102299 -1.274567
O 0.945006 2.176902 -3.215689
O -2.023974 3.533535 0.368122
O -1.630645 -4.346009 -1.656826
O -4.261646 1.994527 2.313417
N 0.991977 -0.659799 0.052619
C -0.427363 0.758706 -1.349999
C 0.190715 -0.647892 -1.189919
C -1.725165 1.021627 -0.567190
C -2.648679 -0.205996 -0.423761
C -0.919973 -1.730507 -1.167581
C -3.581320 -0.150957 0.795698
C 3.551880 -0.811876 0.798351
C -0.051229 1.625342 -3.607772
C -1.576160 2.736472 1.156333
C -0.752681 -4.165491 -0.855987
C -0.668686 1.589983 -4.956961
C 4.082225 0.261232 0.076717
C 4.030636 -1.109339 2.078352
C -1.254635 2.874671 2.594825
C -4.886701 1.843205 1.288974
C 0.042476 -5.092785 -0.021958
C 5.095153 1.049447 0.635560
C 5.042772 -0.330859 2.647717
C -5.972802 2.674123 0.711035
C 5.560077 0.741134 1.915387
H 0.335038 1.546699 -1.115385
H 0.862950 -0.847274 -2.078384
H -2.292539 1.863708 -1.048233
H -3.228230 -0.334138 -1.370930
H -1.403496 -1.954731 -2.136350
H 0.365924 -0.615255 0.879244
H -4.082462 -1.123230 0.960884
H -3.056578 0.170412 1.717347
H -1.586545 0.979608 -4.990615
H 0.034948 1.175932 -5.698860
H -0.930851 2.607101 -5.293710
H 3.713992 0.493699 -0.929125
H 3.616160 -1.957622 2.638928
H -2.182263 2.721973 3.189876
H -0.524020 2.130623 2.946927
H -0.875128 3.880389 2.829811
H 0.791018 -4.549332 0.608897
H -0.600826 -5.666478 0.661571
H 0.604406 -5.808196 -0.641463
H 5.508620 1.888286 0.072442
H 5.418162 -0.563409 3.645488
H -6.471885 2.188195 -0.143315
H -6.739059 2.905750 1.468138
H -5.569405 3.638012 0.352117


%chk=000263841-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000263841

0 1
Br 6.966047 2.660504 1.422256
S 2.246570 -1.868932 0.552394
O -2.239298 -1.515066 -0.030505
O -0.783983 0.837159 -2.447459
O -1.604152 1.120993 1.149532
O -0.589308 -3.094827 -0.409432
O -4.776195 1.172544 0.062903
O 2.237618 -2.828375 1.867048
O 2.427540 -2.473318 -0.956210
O 1.497660 1.227095 -2.735278
O -2.031777 3.408777 0.932033
O -1.085932 -4.151092 -2.441711
O -4.787736 1.809218 2.314528
N 0.692162 -0.798038 0.566770
C -0.525851 0.654028 -0.985772
C 0.019424 -0.779737 -0.748289
C -1.876219 0.933459 -0.297692
C -2.859502 -0.240123 -0.456280
C -1.102194 -1.833182 -0.897589
C -4.120538 -0.114855 0.407339
C 3.574926 -0.554297 0.794549
C 0.352025 1.130084 -3.228840
C -1.738120 2.433703 1.658177
C -0.591613 -4.208349 -1.300373
C -0.021686 1.269513 -4.683225
C 3.763942 0.407702 -0.212183
C 4.329831 -0.614028 1.974773
C -1.533511 2.440021 3.149437
C -5.031938 2.073352 1.116509
C 0.114254 -5.363799 -0.645933
C 4.781324 1.368989 -0.016890
C 5.348790 0.348500 2.161116
C -5.579426 3.371527 0.577786
C 5.557277 1.324688 1.163371
H 0.239046 1.378195 -0.658136
H 0.787570 -1.002805 -1.514414
H -2.311771 1.861380 -0.709288
H -3.127820 -0.299445 -1.533378
H -1.437844 -1.928134 -1.951161
H 0.093982 -1.172412 1.329399
H -4.830263 -0.920659 0.163584
H -3.866791 -0.137385 1.479726
H -0.991163 1.780212 -4.793353
H -0.118092 0.265139 -5.135293
H 0.766934 1.818928 -5.217746
H 3.150677 0.434961 -1.119284
H 4.132078 -1.390831 2.720484
H -2.497909 2.179604 3.624278
H -0.785361 1.691453 3.452110
H -1.236841 3.445221 3.483648
H 1.191321 -5.122753 -0.582908
H -0.247964 -5.507318 0.384946
H -0.027286 -6.277895 -1.239638
H 4.958622 2.136788 -0.774537
H 5.962928 0.333354 3.065361
H -6.116051 3.217687 -0.370311
H -6.236742 3.839603 1.326232
H -4.726871 4.051779 0.392816


