%chk=000187037.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187037

0 1
Br -0.344179 2.199306 2.014218
O -4.049768 1.293768 -0.792816
O -3.049356 -1.537727 -0.408761
O -5.181290 0.212653 0.955280
O -2.158449 -1.400759 1.770477
C -2.724203 0.937962 -0.203423
C -2.230763 -0.365171 -0.847943
C -1.773226 2.079103 -0.571141
C 0.161295 0.427581 -0.332522
C -0.356083 1.809177 -0.055742
C -0.728294 -0.597778 -0.694189
C 1.592950 0.157704 -0.275888
C -0.233343 -1.903271 -1.037239
C 2.076542 -1.174171 -0.627863
C 1.122870 -2.183435 -1.005878
C 2.544878 1.131762 0.111710
C 3.462952 -1.455716 -0.593885
C 3.935275 0.851819 0.151051
C 4.412163 -0.475603 -0.217088
C -5.204288 0.865180 -0.117094
C -2.979507 -1.910742 0.957085
C 4.898550 1.845675 0.550807
C 5.826699 -0.745514 -0.176347
C 6.258383 1.550453 0.579754
C 6.728154 0.241310 0.210721
C -6.444733 1.286975 -0.874021
C -4.028469 -2.953011 1.257723
H -2.823649 0.829702 0.889460
H -2.483928 -0.330066 -1.925752
H -2.155632 3.031329 -0.168834
H -1.726376 2.175559 -1.675897
H 0.335129 2.593652 -0.397152
H -0.955257 -2.676254 -1.320276
H 1.488787 -3.182755 -1.268898
H 2.218090 2.127952 0.427068
H 3.807202 -2.462102 -0.863689
H 4.540305 2.841856 0.836394
H 6.181489 -1.745259 -0.453958
H 6.981634 2.313859 0.886528
H 7.802198 0.027733 0.240104
H -6.837832 0.419411 -1.434916
H -6.224305 2.095780 -1.585666
H -7.222034 1.602681 -0.159997
H -3.742147 -3.525717 2.152472
H -4.186138 -3.624326 0.398895
H -4.977999 -2.424567 1.461228


%chk=000187037-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000187037

0 1
Br -0.342650 2.207928 2.007159
O -4.051099 1.289929 -0.792476
O -3.052560 -1.537709 -0.395758
O -5.183667 0.227734 0.959512
O -2.167581 -1.396123 1.766110
C -2.725238 0.938082 -0.202615
C -2.232695 -0.368240 -0.841244
C -1.773995 2.077063 -0.576370
C 0.159941 0.425399 -0.331981
C -0.356508 1.808517 -0.061130
C -0.730424 -0.601299 -0.687804
C 1.591513 0.155148 -0.275866
C -0.236536 -1.908639 -1.025212
C 2.074072 -1.178562 -0.622287
C 1.119531 -2.189238 -0.994220
C 2.544362 1.130581 0.105933
C 3.460397 -1.460527 -0.588927
C 3.934692 0.850229 0.144657
C 4.410528 -0.479066 -0.218042
C -5.205859 0.866381 -0.114480
C -2.980871 -1.903824 0.969328
C 4.898945 1.845497 0.538490
C 5.825009 -0.749370 -0.178129
C 6.258698 1.549847 0.566834
C 6.727419 0.238844 0.203110
C -6.439376 1.283358 -0.884033
C -4.028737 -2.942596 1.280435
H -2.823401 0.835043 0.890894
H -2.486602 -0.337984 -1.919073
H -2.155261 3.031279 -0.177722
H -1.728279 2.168718 -1.681594
H 0.334907 2.591058 -0.406539
H -0.959120 -2.682662 -1.303678
H 1.484716 -3.189938 -1.252956
H 2.218399 2.128341 0.417173
H 3.803854 -2.468307 -0.854503
H 4.541527 2.843136 0.819996
H 6.178989 -1.750523 -0.451669
H 6.982697 2.314355 0.869061
H 7.801420 0.024970 0.231899
H -6.575210 0.611620 -1.751107
H -6.330915 2.308965 -1.271656
H -7.323870 1.209432 -0.234832
H -3.734834 -3.516579 2.171984
H -4.197470 -3.612795 0.422893
H -4.974559 -2.411473 1.494536


