%chk=000257229.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257229

0 1
Br 4.788947 0.217198 2.243414
O -0.664777 2.169294 -0.316485
O 0.741385 -2.304423 0.100337
O 1.014813 1.234919 -1.509063
O -0.179872 -1.600508 -1.839334
C -0.235115 -0.122505 0.134129
C 0.591900 -0.035205 1.437875
C -1.741658 -0.178985 0.371322
C 2.109764 0.013339 1.203672
C 0.132661 1.124471 -0.693469
C 0.106218 -1.382569 -0.687685
C -2.590239 -0.239871 -0.750057
C -2.300984 -0.173692 1.654378
C 2.838696 0.184144 2.526448
C -3.973945 -0.290929 -0.584832
C -3.690994 -0.225604 1.814776
C -4.529439 -0.283227 0.700065
C -0.429771 3.471758 -0.950452
C 1.148646 -3.568721 -0.526890
C 0.796236 4.125081 -0.350597
C 2.412720 -3.352288 -1.328726
H 0.350982 -0.921301 2.065169
H 0.265785 0.862925 2.003228
H 2.437695 -0.923795 0.697272
H 2.380052 0.830956 0.501364
H -2.163556 -0.258117 -1.757612
H -1.674735 -0.126632 2.543088
H 2.581393 1.132357 3.028262
H 2.639881 -0.648787 3.222812
H -4.622286 -0.338019 -1.459116
H -4.116870 -0.219822 2.817119
H -5.609674 -0.322492 0.827972
H -1.373571 3.988765 -0.695903
H -0.343286 3.319075 -2.040938
H 0.309862 -3.942212 -1.141018
H 1.296538 -4.198955 0.368846
H 0.909357 5.159174 -0.698499
H 1.713631 3.584124 -0.630298
H 0.750828 4.144949 0.745488
H 2.806025 -4.297460 -1.722026
H 3.204624 -2.886120 -0.727786
H 2.230833 -2.690092 -2.190349


%chk=000257229-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257229

0 1
Br 4.774466 0.652748 2.330744
O -0.561079 2.240026 -0.276375
O 0.779761 -2.322795 0.120334
O 0.855878 1.109639 -1.738534
O -0.255038 -1.636648 -1.846560
C -0.277168 -0.120698 0.122275
C 0.546077 0.043852 1.441128
C -1.806580 -0.209422 0.380673
C 2.058428 0.306176 1.220795
C 0.066148 1.101068 -0.770998
C 0.088977 -1.406392 -0.668908
C -2.695609 -0.127887 -0.723303
C -2.344175 -0.408919 1.674494
C 2.790984 0.260305 2.562868
C -4.088503 -0.227534 -0.534509
C -3.742027 -0.510720 1.864183
C -4.620218 -0.418073 0.762804
C -0.251161 3.529433 -0.974477
C 1.132601 -3.624832 -0.536464
C 1.024626 4.160871 -0.411403
C 2.440607 -3.493336 -1.320384
H 0.422936 -0.878126 2.036232
H 0.104036 0.884505 2.007984
H 2.481386 -0.455011 0.543451
H 2.217402 1.291797 0.747548
H -2.290762 -0.006201 -1.734301
H -1.688591 -0.483904 2.546571
H 2.439033 1.026096 3.272426
H 2.759247 -0.737116 3.028762
H -4.758997 -0.160443 -1.398448
H -4.141158 -0.662665 2.873408
H -5.703079 -0.495874 0.910889
H -1.143040 4.144760 -0.776764
H -0.157037 3.326432 -2.055607
H 0.295508 -3.918307 -1.193651
H 1.219084 -4.323336 0.310937
H 1.182158 5.152842 -0.874000
H 1.906239 3.536954 -0.635412
H 0.948168 4.300621 0.680932
H 2.718471 -4.475589 -1.745559
H 3.263828 -3.156454 -0.666582
H 2.326871 -2.777644 -2.151303


