%chk=000279820.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279820

0 1
Br 6.980695 1.561507 -0.791461
S 0.614347 1.922232 0.053533
O -2.710807 -1.283842 1.812921
O 0.807559 -1.298551 -1.127255
O -5.909554 1.289021 -1.678917
O -7.053131 1.608350 0.221725
O 4.407264 -1.129839 1.117579
O 5.094106 -1.974346 -0.842658
N -1.405764 -0.388948 0.179960
N 1.864120 -1.947967 0.788726
N -7.626737 -1.232181 0.052287
C -0.176051 -0.545391 0.977871
C -5.120007 -0.980150 0.452812
C -3.808684 -0.631822 -0.254448
C -6.342166 -0.681018 -0.438613
C 0.343100 0.807302 1.463426
C -2.638272 -0.814552 0.688436
C 0.866594 -1.257444 0.088088
C -6.523996 0.832743 -0.532069
C 2.360440 1.821620 -0.179951
C 2.914950 -2.656253 0.044533
C 3.202042 2.562918 0.653424
C 2.863773 1.043671 -1.223339
C 4.237547 -1.915457 0.002887
C 4.585449 2.502515 0.458215
C 4.248022 0.984059 -1.425127
C 5.088702 1.701907 -0.571656
H -0.419716 -1.191094 1.879584
H -5.112561 -2.052640 0.740647
H -5.188715 -0.433724 1.418821
H -3.671493 -1.271740 -1.153381
H -3.844910 0.410757 -0.644583
H -6.171947 -1.091260 -1.475622
H -1.282579 -0.030773 -0.769924
H -0.419305 1.293720 2.112664
H 1.253047 0.702305 2.080579
H 2.066664 -1.764581 1.768880
H -7.575073 -2.241667 0.152592
H -7.883799 -0.837724 0.956038
H 2.577758 -2.836678 -1.016604
H 3.081896 -3.665472 0.498373
H 2.792845 3.188419 1.448928
H 2.189774 0.470254 -1.872739
H -6.013669 2.269501 -1.809442
H 5.254659 3.076632 1.100572
H 4.658926 0.367914 -2.230534
H 5.257257 -0.601932 1.085521


%chk=000279820-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000279820

0 1
Br 6.926017 2.247404 -0.356273
S 0.378920 1.722745 0.486669
O -2.655808 -1.163043 2.037101
O 0.637327 -1.405404 -1.549766
O -6.086037 -0.653002 -2.327652
O -6.967379 1.365931 -1.597979
O 4.541584 -1.291094 0.923954
O 5.480799 -1.710082 -1.165435
N -1.431525 -0.951884 0.084485
N 2.071824 -2.032637 0.173148
N -7.533062 0.183453 0.868083
C -0.147757 -1.115712 0.764312
C -5.021376 -0.165733 0.649729
C -3.889642 -0.914598 -0.087673
C -6.455835 -0.398276 0.058187
C 0.251461 0.158286 1.561656
C -2.625924 -1.011033 0.771914
C 0.884706 -1.523839 -0.308535
C -6.553286 0.215280 -1.334697
C 2.209322 1.831556 0.258671
C 3.162516 -2.405835 -0.725584
C 3.022992 2.310960 1.312459
C 2.790498 1.500460 -0.987901
C 4.505555 -1.765159 -0.392438
C 4.420217 2.435819 1.136701
C 4.186571 1.630649 -1.180395
C 4.983139 2.087071 -0.109622
H -0.251369 -1.928240 1.514635
H -5.036280 -0.525621 1.695993
H -4.816006 0.921650 0.683466
H -4.224127 -1.949554 -0.306461
H -3.662876 -0.450337 -1.064194
H -6.603477 -1.490362 -0.046085
H -1.379398 -0.846172 -0.935181
H -0.544741 0.357317 2.296681
H 1.213237 0.035465 2.088384
H 2.258424 -2.040194 1.177695
H -7.472473 -0.023119 1.867428
H -7.727760 1.166301 0.654130
H 2.873877 -2.116505 -1.750231
H 3.318205 -3.503965 -0.735615
H 2.567058 2.602828 2.264316
H 2.156818 1.132703 -1.801329
H -6.145401 -0.200482 -3.213371
H 5.048857 2.813313 1.948500
H 4.639665 1.369303 -2.140559
H 5.414550 -0.846313 1.099976


