%chk=000297365.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297365

0 1
Br -1.761291 2.727880 -0.219776
O 2.752941 0.079140 0.484360
O -2.703071 -0.179793 -0.491882
C 0.773829 -1.247887 0.100147
C -0.618813 -1.314196 -0.100739
C 1.383655 0.017618 0.205055
C 0.662068 1.227791 0.135698
C -1.347487 -0.110270 -0.183585
C -0.721993 1.140285 -0.066352
C 1.598212 -2.485237 0.216661
C -1.324541 -2.620899 -0.241484
C 1.352087 2.537650 0.288185
C 3.578996 0.132821 -0.708811
C -3.576917 -0.118366 0.667012
H 2.619202 -2.260134 0.567265
H 1.163740 -3.193402 0.936566
H 1.680615 -3.004122 -0.748153
H -1.337641 -3.173747 0.707470
H -2.370148 -2.482290 -0.563635
H -0.842867 -3.260603 -0.994071
H 1.283752 3.139420 -0.630140
H 0.904863 3.134913 1.098777
H 2.417723 2.412987 0.537691
H 4.589234 0.182942 -0.287582
H 3.345675 1.028603 -1.290856
H 3.440503 -0.772676 -1.305390
H -3.408149 0.801329 1.234199
H -3.427268 -1.004879 1.288308
H -4.568608 -0.114476 0.199761


%chk=000297365-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000297365

0 1
Br -1.788058 2.795249 -0.263753
O 2.796864 0.092170 0.492938
O -2.754008 -0.146769 -0.506206
C 0.773907 -1.236491 0.114942
C -0.629454 -1.299614 -0.114110
C 1.397101 0.033940 0.229565
C 0.677728 1.261206 0.141615
C -1.372179 -0.091013 -0.212114
C -0.714658 1.157334 -0.084486
C 1.593866 -2.505586 0.250388
C -1.335093 -2.633569 -0.272165
C 1.386103 2.589317 0.305672
C 3.628456 0.121366 -0.725892
C -3.632588 -0.157593 0.682700
H 2.597218 -2.275694 0.641231
H 1.108908 -3.221243 0.938759
H 1.706814 -3.025243 -0.721610
H -1.378877 -3.187350 0.686175
H -2.363061 -2.484155 -0.636891
H -0.803050 -3.281908 -0.991991
H 1.375687 3.171384 -0.635186
H 0.882628 3.211640 1.066856
H 2.428779 2.427679 0.618721
H 4.672107 0.160967 -0.377034
H 3.401355 1.014874 -1.339594
H 3.469293 -0.788463 -1.336949
H -3.487130 0.756002 1.288574
H -3.440204 -1.053332 1.305189
H -4.660154 -0.184702 0.289355


