%chk=000228853.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228853

0 1
Br -2.635970 -3.049180 0.715613
O -2.838629 0.486550 0.447816
O -2.165636 -0.480757 -1.485867
C 2.274400 -0.877957 0.076390
C 0.829206 -0.532689 0.459307
C 3.201791 0.332370 0.250306
C -0.091658 -1.749151 0.283523
C 4.647626 -0.012247 -0.130945
C -1.521998 -1.422025 0.698363
C 5.577788 1.196831 0.042071
C -2.184750 -0.468631 -0.279916
C 7.018314 0.859282 -0.335804
C -3.637776 1.505062 -0.280782
C -4.941009 0.852885 -0.703907
C -3.793820 2.599710 0.759874
H 2.311855 -1.231566 -0.972978
H 2.638957 -1.722547 0.692689
H 0.792762 -0.173225 1.506028
H 0.468617 0.308950 -0.165575
H 3.164095 0.689973 1.297346
H 2.840724 1.175633 -0.370082
H -0.071406 -2.092406 -0.774761
H 0.291596 -2.601606 0.882378
H 5.011401 -0.855929 0.486460
H 4.687807 -0.368351 -1.178495
H -1.565733 -1.012379 1.738084
H 5.217207 2.040806 -0.578146
H 5.540468 1.553973 1.089827
H 7.674664 1.727584 -0.209700
H 7.096979 0.538106 -1.380752
H 7.420410 0.051219 0.285801
H -3.030177 1.828191 -1.155053
H -5.442038 0.362133 0.140697
H -4.766232 0.079519 -1.467079
H -5.640227 1.582191 -1.127439
H -4.288157 2.224121 1.666602
H -2.819337 2.995711 1.073230
H -4.391914 3.433046 0.374077


%chk=000228853-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000228853

0 1
Br -2.676877 -2.956571 0.706963
O -3.062787 0.505474 0.575310
O -1.949876 -0.121416 -1.384575
C 2.359218 -0.835355 0.073193
C 0.917017 -0.452194 0.478032
C 3.364210 0.326253 0.241546
C -0.063865 -1.641349 0.301369
C 4.806654 -0.056180 -0.160710
C -1.480761 -1.280465 0.746987
C 5.816367 1.102204 0.008175
C -2.169892 -0.262611 -0.159188
C 7.254833 0.709725 -0.393086
C -3.905669 1.503861 -0.191678
C -5.088774 0.755262 -0.820027
C -4.304487 2.563470 0.835917
H 2.362970 -1.174702 -0.982989
H 2.694028 -1.701102 0.681854
H 0.911567 -0.112505 1.534672
H 0.580439 0.403529 -0.139736
H 3.357485 0.668764 1.297686
H 3.030953 1.191450 -0.368775
H -0.088015 -1.949076 -0.759671
H 0.289809 -2.503376 0.896457
H 5.140522 -0.922855 0.447699
H 4.815275 -0.397042 -1.217177
H -1.544027 -0.961279 1.798515
H 5.483516 1.966943 -0.601601
H 5.805514 1.443803 1.063502
H 7.956910 1.554237 -0.265635
H 7.297641 0.391203 -1.451874
H 7.622434 -0.131785 0.224237
H -3.257532 1.926072 -0.982415
H -5.692518 0.260365 -0.039309
H -4.738160 -0.006381 -1.536555
H -5.735760 1.467479 -1.364165
H -4.904166 2.113641 1.646508
H -3.413395 3.037550 1.281601
H -4.910601 3.348160 0.348144


