%chk=000287465.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000287465

0 1
Br 4.109658 2.214490 0.599428
S -1.971583 2.719901 -1.445985
C -1.624099 -1.658480 2.056001
C -2.330198 -2.767651 1.265244
C -0.125139 -1.923581 2.251514
C -3.859005 -2.626242 1.281035
C 0.670628 -1.862158 0.940426
C -4.382170 -1.392944 0.532007
C 2.182765 -1.901147 1.201945
C -4.189716 -1.499845 -0.985937
C 2.985154 -1.956493 -0.104682
C -4.757919 -0.294440 -1.747074
C 4.491562 -1.830720 0.155787
C -4.080675 1.044521 -1.412405
C 5.322356 -1.904305 -1.133366
C -2.598716 1.035154 -1.764422
C 5.187028 -0.656562 -2.003455
C -0.307744 2.508542 -0.920253
C 0.451710 1.378113 -1.226417
C 0.238567 3.568584 -0.184186
C 1.771217 1.290229 -0.769232
C 1.560935 3.489790 0.260044
C 2.308855 2.344662 -0.031987
H -2.101462 -1.549505 3.049960
H -1.771710 -0.685296 1.548013
H -2.055416 -3.755572 1.684512
H -1.963411 -2.773974 0.220963
H 0.024594 -2.908377 2.734251
H 0.278260 -1.177011 2.964868
H -4.310336 -3.541563 0.850066
H -4.214435 -2.587138 2.329953
H 0.377010 -2.703141 0.284390
H 0.410453 -0.938302 0.388061
H -3.876365 -0.482720 0.911019
H -5.456631 -1.255957 0.762216
H 2.481419 -1.009450 1.788401
H 2.435938 -2.774279 1.833151
H -3.113007 -1.621245 -1.215634
H -4.677544 -2.422565 -1.358019
H 2.768924 -2.896954 -0.644674
H 2.660484 -1.134241 -0.782428
H -4.680889 -0.486499 -2.835615
H -5.842798 -0.203831 -1.537371
H 4.818288 -2.632069 0.846427
H 4.701226 -0.877047 0.680605
H -4.217201 1.269913 -0.333567
H -4.607253 1.855918 -1.956980
H 6.388154 -2.049867 -0.865444
H 5.035681 -2.800674 -1.717029
H -2.433011 0.778235 -2.826617
H -2.057020 0.288149 -1.152419
H 4.174161 -0.550958 -2.406141
H 5.876247 -0.689342 -2.854191
H 5.407110 0.256475 -1.436191
H 0.040873 0.561939 -1.819108
H -0.357963 4.452133 0.050041
H 2.365416 0.387060 -0.980251
H 1.995248 4.310637 0.832452


%chk=000287465-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000287465

0 1
Br 4.430028 3.282246 -0.197424
S -2.145449 2.973241 -0.868042
C -1.753924 -1.888187 2.122650
C -2.453452 -3.044970 1.369762
C -0.230981 -2.087536 2.317378
C -3.988208 -2.870510 1.232255
C 0.581819 -2.077107 1.000685
C -4.440928 -1.617513 0.438545
C 2.110047 -2.082956 1.228436
C -3.961999 -1.600658 -1.031968
C 2.926294 -2.111134 -0.083657
C -4.493166 -0.401364 -1.857265
C 4.451770 -2.013235 0.148530
C -4.063933 1.000010 -1.345923
C 5.304510 -2.103109 -1.141398
C -2.534354 1.175453 -1.317298
C 5.078943 -0.935050 -2.129018
C -0.321126 2.971662 -0.708365
C 0.504304 1.861138 -1.008796
C 0.276464 4.178053 -0.257277
C 1.907998 1.950786 -0.858882
C 1.675663 4.276486 -0.108051
C 2.479101 3.156372 -0.410116
H -2.237815 -1.768354 3.114260
H -1.916266 -0.932447 1.582241
H -2.251525 -3.991438 1.913063
H -2.001828 -3.168974 0.366254
H -0.048761 -3.042535 2.853657
H 0.154909 -1.281727 2.975255
H -4.409469 -3.773336 0.743151
H -4.433767 -2.827804 2.247732
H 0.304479 -2.949268 0.374585
H 0.309014 -1.170633 0.417264
H -4.091099 -0.705760 0.961067
H -5.549713 -1.569270 0.450683
H 2.392370 -1.183466 1.814807
H 2.387130 -2.959303 1.851425
H -2.854386 -1.613500 -1.067299
H -4.291225 -2.539360 -1.523363
H 2.699269 -3.044395 -0.641326
H 2.591723 -1.274698 -0.731438
H -4.163328 -0.512438 -2.910682
H -5.601482 -0.435901 -1.871432
H 4.757850 -2.824933 0.840767
H 4.678894 -1.058526 0.668203
H -4.473282 1.181508 -0.334398
H -4.506786 1.768111 -2.010048
H 6.375955 -2.130759 -0.858780
H 5.092196 -3.064586 -1.653298
H -2.094351 0.959232 -2.307092
H -2.066747 0.528041 -0.555607
H 4.047096 -0.929666 -2.526812
H 5.765031 -1.006071 -2.993073
H 5.258287 0.039564 -1.635402
H 0.079438 0.919126 -1.367345
H -0.348836 5.045261 -0.018025
H 2.538570 1.088169 -1.092827
H 2.125542 5.210318 0.240774


