%chk=000290100.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290100

0 1
Br 6.965536 -0.278756 0.783373
S -2.261610 0.487798 -0.054713
O 1.122529 -1.303279 -0.447452
O -2.074877 -0.381422 -1.201801
O -1.968084 0.019003 1.282749
N -1.363788 1.943266 -0.330010
C 1.870529 1.353473 -0.276666
C 2.544777 2.727596 -0.444075
C 2.890896 0.252935 -0.069987
C 0.838978 1.335799 0.869638
C 3.609311 2.955896 0.630042
C 4.727210 1.912746 0.522218
C 4.227954 0.515419 0.285719
C -0.337893 2.305100 0.686470
C 2.483337 -1.085742 -0.246422
C 5.109814 -0.573281 0.391935
C 3.363709 -2.174519 -0.093815
C 4.700877 -1.893963 0.215664
C -0.926919 2.138821 -1.735349
C -3.908367 1.134986 -0.078920
C 2.895323 -3.582438 -0.233612
C -4.917132 0.055921 0.159863
C 0.735933 -1.657734 -1.799044
C -4.917679 -0.651450 1.373711
C -5.880737 -0.236620 -0.817046
C -5.877887 -1.637924 1.604567
C -6.839217 -1.226087 -0.577376
C -6.842413 -1.925867 0.632347
H 1.319177 1.120668 -1.234054
H 3.006723 2.791347 -1.448175
H 1.782689 3.529583 -0.405166
H 0.458797 0.293546 1.002164
H 1.347020 1.566427 1.827063
H 4.035729 3.972415 0.541052
H 3.144839 2.904603 1.635068
H 5.422537 2.185620 -0.302145
H 5.337126 1.947768 1.451957
H -0.874480 2.398550 1.662162
H 0.045000 3.323190 0.438836
H 5.411576 -2.715040 0.323833
H -0.683687 3.202187 -1.898992
H -1.734027 1.867790 -2.435848
H -0.032842 1.535668 -2.003106
H -4.112694 1.669157 -1.031257
H -4.031665 1.931024 0.690990
H 3.398235 -4.255505 0.474063
H 1.812806 -3.664132 -0.036586
H 3.081778 -3.969069 -1.244857
H 1.152091 -0.955044 -2.521436
H -0.366938 -1.562377 -1.740766
H 1.036382 -2.683362 -2.018415
H -4.153297 -0.446993 2.130124
H -5.882571 0.296984 -1.764798
H -5.871559 -2.187573 2.545286
H -7.583665 -1.452357 -1.339217
H -7.588892 -2.695648 0.816311


%chk=000290100-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000290100

0 1
Br 7.165948 -0.220136 0.701629
S -2.329445 0.484049 0.126863
O 1.233605 -1.334390 -0.565660
O -2.125778 -0.510406 -1.160398
O -2.077459 -0.039460 1.650103
N -1.352495 2.115333 -0.107050
C 1.939738 1.347938 -0.292805
C 2.591028 2.736955 -0.504347
C 3.004785 0.253155 -0.138488
C 0.953508 1.295292 0.918642
C 3.687772 3.006066 0.545558
C 4.836929 1.989069 0.393876
C 4.359633 0.555509 0.193000
C -0.263133 2.258010 0.911591
C 2.610878 -1.103273 -0.329647
C 5.253411 -0.539053 0.297045
C 3.513812 -2.187470 -0.180086
C 4.859225 -1.877203 0.130292
C -1.018452 2.284644 -1.545881
C -4.189073 1.226090 0.039306
C 3.061538 -3.630052 -0.297922
C -5.185466 0.136563 0.202808
C 0.832172 -1.830463 -1.897064
C -5.614723 -0.252372 1.501138
C -5.702291 -0.543161 -0.933297
C -6.557136 -1.289720 1.657423
C -6.645846 -1.579279 -0.774697
C -7.077116 -1.952836 0.520407
H 1.356370 1.085763 -1.193884
H 3.044134 2.781887 -1.515651
H 1.822143 3.532347 -0.468118
H 0.580646 0.261518 1.023315
H 1.515378 1.516701 1.849275
H 4.088296 4.031302 0.437083
H 3.256243 2.937012 1.562808
H 5.471356 2.272937 -0.471677
H 5.504362 2.032913 1.274698
H -0.758358 2.165882 1.895179
H 0.056475 3.315417 0.812699
H 5.586201 -2.685415 0.255252
H -0.328382 3.142957 -1.625961
H -1.935519 2.526693 -2.112139
H -0.548086 1.399265 -2.014281
H -4.180627 1.713581 -0.946419
H -4.137610 1.955844 0.859605
H 3.740703 -4.299523 0.256926
H 2.041159 -3.751701 0.105754
H 3.046743 -3.974489 -1.350324
H 1.288322 -1.215304 -2.698091
H -0.263765 -1.723472 -1.907721
H 1.120945 -2.888238 -2.040121
H -5.198484 0.251169 2.380894
H -5.354961 -0.263355 -1.934433
H -6.882537 -1.585183 2.660621
H -7.040890 -2.098286 -1.654612
H -7.809530 -2.758515 0.643080


