%chk=000246693.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000246693

0 1
Br 1.995798 1.324503 2.752388
O -3.283416 0.779858 -0.428088
O -1.575849 -1.570167 0.584879
O -2.236453 2.553653 0.515452
O -0.945081 -1.317204 -1.579886
C 1.520866 0.414405 0.064742
C -0.971699 0.582108 -0.072786
C 0.235091 1.120090 0.177820
C 2.446237 0.439046 1.121316
C 1.865622 -0.264295 -1.116694
C -2.183111 1.433467 0.060133
C -1.154340 -0.836818 -0.490009
C 3.687492 -0.188604 1.015161
C 3.110049 -0.887922 -1.233838
C 4.019582 -0.849946 -0.172664
C -4.567446 1.489000 -0.403540
C -1.806491 -3.004794 0.387456
C -4.619105 2.492090 -1.535094
C -0.482480 -3.738188 0.369715
H 0.305567 2.179267 0.490527
H 1.148325 -0.310374 -1.944987
H 4.395961 -0.166495 1.845180
H 3.368193 -1.408516 -2.156777
H 4.990260 -1.337559 -0.266072
H -5.264936 0.641078 -0.534954
H -4.691037 1.955022 0.590094
H -2.422882 -3.232898 1.276636
H -2.386376 -3.142631 -0.542105
H -5.623590 2.915876 -1.651021
H -3.925971 3.328810 -1.358840
H -4.336157 2.034570 -2.492741
H -0.624982 -4.824870 0.390856
H 0.094253 -3.496759 -0.535754
H 0.140205 -3.464805 1.232095


%chk=000246693-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000246693

0 1
Br 2.341165 2.064758 2.510147
O -3.269525 0.749667 -0.372908
O -1.716900 -1.683371 0.445756
O -2.115961 2.522110 0.624010
O -0.932997 -1.330966 -1.722546
C 1.638084 0.430679 0.139118
C -0.927188 0.493378 -0.067731
C 0.296939 1.022352 0.250788
C 2.687423 0.816265 1.027869
C 1.983798 -0.488740 -0.900666
C -2.123171 1.372680 0.118347
C -1.175921 -0.904636 -0.566591
C 3.995327 0.307653 0.916822
C 3.290265 -0.997842 -1.027219
C 4.298927 -0.605675 -0.118355
C -4.541943 1.532161 -0.290227
C -2.063399 -3.099016 0.093145
C -4.677517 2.474142 -1.489805
C -0.851673 -4.012374 0.294162
H 0.250276 2.036771 0.673597
H 1.218845 -0.766666 -1.631045
H 4.766147 0.619548 1.626953
H 3.523090 -1.690612 -1.842446
H 5.317813 -0.996125 -0.211319
H -5.320843 0.753345 -0.282476
H -4.547254 2.089025 0.663152
H -2.885707 -3.339452 0.785398
H -2.421124 -3.120789 -0.951000
H -5.663045 2.974853 -1.458872
H -3.895584 3.251088 -1.467431
H -4.602656 1.915798 -2.438695
H -1.145053 -5.063875 0.117171
H -0.044756 -3.755771 -0.412435
H -0.463786 -3.930366 1.323933


