%chk=000243986.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000243986

0 1
Br -5.074286 0.446757 -1.491089
Br 4.638826 2.688868 -0.326528
Br -4.751659 1.924110 1.654985
O 2.997682 -0.285042 1.854112
O 4.889785 -0.287058 -1.138510
O -5.357528 -1.015843 1.933849
O 6.423803 -1.819017 0.398350
C 0.944929 0.972225 0.197750
C -0.380375 0.891600 -0.570660
C 1.928675 -0.144986 -0.280620
C -1.028827 -0.483401 -0.231314
C -2.410102 -0.649264 -0.951248
C 1.318153 -1.503394 0.090712
C -0.070126 -1.651600 -0.552263
C 3.215573 0.252685 0.539202
C -3.323538 0.545670 -0.497805
C 1.790177 2.254990 0.109908
C -1.315265 2.053451 -0.199727
C 3.169583 1.808104 0.632298
C -2.687876 1.891395 -0.860574
C -3.078254 -1.993036 -0.565747
C 2.237827 -0.075182 -1.777221
C -2.228511 -0.640246 -2.477472
C -3.661327 0.434238 0.995295
C -3.490719 -2.094899 0.899813
C 4.534671 -0.344710 0.013090
C -4.323466 -0.907424 1.333568
C 5.409318 -1.052919 1.040018
H 0.721350 0.791650 1.283166
H -0.175659 0.935447 -1.669135
H -1.216581 -0.505391 0.872115
H 0.041486 -1.750591 -1.652207
H -0.522602 -2.604031 -0.211147
H 1.251178 -1.599377 1.194118
H 1.975082 -2.330916 -0.236174
H 1.830870 2.632218 -0.929674
H 1.376949 3.078676 0.714932
H -0.866627 3.013889 -0.521675
H -1.426274 2.137071 0.898806
H 3.300539 2.119244 1.693287
H -3.347054 2.740930 -0.583423
H -2.581847 1.970359 -1.965371
H -2.394456 -2.830703 -0.813184
H -3.971607 -2.161937 -1.206029
H 2.848345 0.799638 -2.042297
H 2.808037 -0.950247 -2.116961
H 1.321110 -0.027972 -2.376730
H -2.005174 0.363317 -2.861320
H -1.403250 -1.296209 -2.783803
H -3.123754 -0.987115 -3.009728
H -2.710314 0.508968 1.587907
H -2.605351 -2.188039 1.560939
H -4.073797 -3.028160 1.063677
H 3.493689 0.211140 2.538076
H 4.838648 -1.797080 1.636579
H 5.897648 -0.327114 1.719313
H 6.665975 -1.407436 -0.473328


%chk=000243986-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000243986

0 1
Br -5.221338 0.443585 -1.342794
Br 4.692731 2.888538 -0.495845
Br -4.650695 1.892119 1.909138
O 2.862437 -0.027615 1.941110
O 5.124933 -0.234629 -0.927855
O -5.237373 -1.138615 2.186631
O 6.317163 -1.998460 0.669083
C 0.980703 1.029071 0.087099
C -0.375901 0.924747 -0.639420
C 1.998766 -0.080507 -0.341195
C -0.991587 -0.483134 -0.329595
C -2.437828 -0.670918 -0.969868
C 1.385894 -1.462619 -0.010152
C 0.001327 -1.624555 -0.698446
C 3.239369 0.344676 0.552740
C -3.339889 0.523693 -0.436018
C 1.798257 2.334275 -0.042778
C -1.329708 2.067869 -0.221026
C 3.197622 1.934719 0.502923
C -2.749247 1.895484 -0.812466
C -3.084482 -2.029589 -0.563720
C 2.377960 0.002924 -1.844529
C -2.336221 -0.664912 -2.520970
C -3.610012 0.368288 1.090412
C -3.402796 -2.172697 0.943212
C 4.549556 -0.362761 0.186546
C -4.220942 -0.995794 1.475282
C 5.171810 -1.313772 1.217373
H 0.782305 0.865056 1.167500
H -0.208918 1.009743 -1.732495
H -1.097317 -0.530523 0.777259
H 0.135817 -1.672472 -1.794662
H -0.417481 -2.600622 -0.391037
H 1.270934 -1.557802 1.085271
H 2.053914 -2.280063 -0.346245
H 1.866001 2.648422 -1.098597
H 1.384610 3.178750 0.533563
H -0.926241 3.039304 -0.564377
H -1.384579 2.131966 0.885494
H 3.352209 2.310303 1.528028
H -3.415648 2.696673 -0.452652
H -2.712313 1.975740 -1.913213
H -2.428228 -2.860578 -0.877252
H -4.024415 -2.141566 -1.134688
H 2.971596 0.898005 -2.090412
H 2.983809 -0.869007 -2.142348
H 1.473456 0.010372 -2.474703
H -1.807094 0.216421 -2.918650
H -1.792984 -1.563616 -2.862615
H -3.340242 -0.689658 -2.975582
H -2.640007 0.443166 1.617450
H -2.460763 -2.226609 1.527671
H -3.968409 -3.098251 1.144800
H 3.510962 0.364943 2.580702
H 4.411749 -2.046198 1.550399
H 5.475494 -0.725140 2.113762
H 6.504976 -1.589868 -0.224343


