%chk=000271756.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271756

0 1
Br 4.700681 0.614171 0.000116
O -1.140069 -0.867691 -0.000028
C -3.190602 0.471155 0.000004
C -1.696009 0.439542 0.000008
C 0.549808 0.718711 0.000052
C -0.727082 1.402379 0.000056
C 0.245620 -0.675639 -0.000002
C -3.730155 -0.199863 1.267738
C -3.730178 -0.200259 -1.267510
C 1.889720 1.118184 0.000086
C 1.209205 -1.682204 -0.000026
C 2.853861 0.111993 0.000065
C 2.538710 -1.261111 0.000009
H -3.510773 1.548142 -0.000162
H -0.851303 2.467492 0.000088
H -3.414635 -1.250119 1.328986
H -4.825219 -0.183088 1.290826
H -3.369282 0.301252 2.173539
H -3.369342 0.300591 -2.173473
H -4.825243 -0.183517 -1.290572
H -3.414632 -1.250525 -1.328452
H 2.155716 2.174478 0.000128
H 0.935365 -2.733537 -0.000067
H 3.338439 -2.004237 -0.000008


%chk=000271756-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000271756

0 1
Br 4.800907 0.656317 0.000048
O -1.118374 -0.886538 0.000035
C -3.205498 0.462147 0.000029
C -1.702863 0.418992 0.000012
C 0.568204 0.706112 0.000024
C -0.716737 1.387642 0.000006
C 0.276449 -0.690045 0.000042
C -3.787671 -0.197846 1.280353
C -3.787718 -0.198084 -1.280148
C 1.922124 1.126045 0.000025
C 1.254874 -1.691971 0.000061
C 2.906788 0.120784 0.000045
C 2.603488 -1.266600 0.000062
H -3.485328 1.533740 -0.000065
H -0.886487 2.462586 -0.000013
H -3.514374 -1.266913 1.322380
H -4.890229 -0.121429 1.279453
H -3.405518 0.291485 2.193918
H -3.405598 0.291073 -2.193820
H -4.890276 -0.121662 -1.279222
H -3.514428 -1.267160 -1.321985
H 2.194814 2.184638 0.000011
H 0.994902 -2.753747 0.000073
H 3.411149 -2.003266 0.000077


