%chk=000238648.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238648

0 1
Br -7.544819 1.113372 1.249082
O 0.944782 0.685464 2.029475
O -0.954430 -1.428862 -2.867722
O -1.367449 0.753091 -2.596599
N -2.147024 -1.390182 -0.154145
C 0.853948 0.587972 0.597596
C -0.948144 -0.646009 -0.587954
C -0.647703 0.657773 0.202989
C 1.280009 -0.845957 0.237807
C 0.303569 -1.492760 -0.416314
C 1.749308 1.619354 -0.062004
C -1.130456 -0.320960 -2.091462
C 2.605426 -1.372315 0.577706
C 1.427415 2.194044 -1.297899
C 2.947528 1.977051 0.576495
C -3.356402 -0.737661 0.201964
C 3.392059 -1.987367 -0.410517
C 3.085670 -1.275601 1.894148
C 2.287227 3.130624 -1.880337
C 3.803137 2.913713 -0.006457
C -4.228242 -1.409219 1.092749
C -3.748668 0.490258 -0.369109
C 3.473034 3.494225 -1.235973
C 4.648841 -2.500315 -0.079639
C 4.339988 -1.796482 2.218026
C 5.122948 -2.408041 1.232985
C -5.472123 -0.860941 1.394849
C -4.994719 1.033685 -0.057681
C -5.844721 0.358864 0.821745
H -1.263134 0.711576 1.123346
H -0.901618 1.567106 -0.372554
H 0.330377 -2.494073 -0.822931
H -1.923462 -2.224363 0.397865
H 0.821957 1.614586 2.321001
H 0.505293 1.920216 -1.819285
H 3.212881 1.508208 1.526690
H 3.025787 -2.057117 -1.433736
H 2.467965 -0.791681 2.657079
H 2.028863 3.575639 -2.840532
H 4.730489 3.187555 0.494189
H -1.096259 -1.241438 -3.838484
H -3.938451 -2.358006 1.538973
H -3.102482 1.017912 -1.072359
H 4.140193 4.224552 -1.690973
H 5.259728 -2.973407 -0.846839
H 4.708516 -1.726088 3.240187
H 6.101305 -2.811631 1.487910
H -6.144844 -1.383326 2.078068
H -5.297092 1.982463 -0.506719


%chk=000238648-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000238648

0 1
Br -7.979528 0.761603 0.568817
O 1.025009 0.746614 2.187205
O -1.768075 -1.590101 -2.442287
O -1.048343 0.603776 -2.627954
N -2.096226 -1.187678 0.303501
C 0.949736 0.686711 0.703098
C -0.981003 -0.535587 -0.389316
C -0.540404 0.833752 0.231501
C 1.326407 -0.757723 0.310456
C 0.273422 -1.393677 -0.273419
C 1.901146 1.729540 0.074660
C -1.271375 -0.399971 -1.914483
C 2.667141 -1.354843 0.512608
C 1.788364 2.074910 -1.298087
C 2.924993 2.333485 0.846919
C -3.413861 -0.723947 0.339761
C 3.198835 -2.252252 -0.456546
C 3.441594 -1.066744 1.670598
C 2.673157 3.010184 -1.876934
C 3.804971 3.275810 0.268176
C -4.404380 -1.496362 1.016805
C -3.812222 0.505024 -0.264781
C 3.683070 3.619181 -1.096357
C 4.460844 -2.852701 -0.270242
C 4.703424 -1.670566 1.855294
C 5.219492 -2.564700 0.888764
C -5.741884 -1.064315 1.086558
C -5.153988 0.937422 -0.197481
C -6.109970 0.153850 0.475895
H -1.174743 1.033891 1.110018
H -0.660540 1.656260 -0.489468
H 0.271990 -2.426982 -0.633748
H -1.896132 -2.091879 0.729248
H 0.782896 1.667985 2.466682
H 1.009707 1.620188 -1.921115
H 3.041539 2.054518 1.898886
H 2.630234 -2.453857 -1.371801
H 3.023596 -0.399723 2.429724
H 2.570338 3.265866 -2.937537
H 4.588111 3.734699 0.882304
H -1.928718 -1.477253 -3.418264
H -4.122982 -2.444521 1.490823
H -3.089620 1.136706 -0.789140
H 4.365809 4.348239 -1.546891
H 4.857628 -3.534601 -1.030626
H 5.283434 -1.446717 2.757645
H 6.201770 -3.028257 1.033550
H -6.486165 -1.671576 1.609988
H -5.442495 1.881822 -0.668308


