%chk=000233587.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000233587

0 1
Br 6.354006 -0.590973 0.659457
O -4.709986 0.464789 0.541044
O 0.191685 0.279501 -1.992300
N -1.947382 0.061207 -0.034937
C -2.868273 -1.104494 0.169241
C -4.291750 -0.677354 -0.254880
C -2.396952 1.218992 0.806897
C -0.530277 -0.312077 0.269063
C -3.829208 1.593021 0.391862
C 0.390618 0.580664 -0.599144
C -5.334948 -1.738660 0.057476
C 1.847153 0.294963 -0.304255
C 2.431374 0.816582 0.859557
C 2.612084 -0.482941 -1.183959
C 3.773201 0.554368 1.149887
C 3.955680 -0.747586 -0.903894
C 4.517612 -0.227119 0.263331
H -2.879605 -1.470824 1.217496
H -2.525200 -1.944564 -0.470443
H -4.309909 -0.372952 -1.324916
H -1.715035 2.076146 0.624876
H -2.368094 0.998486 1.895941
H -0.259066 -0.223345 1.340917
H -0.350457 -1.374900 -0.009635
H -4.278308 2.338916 1.071230
H -3.873399 1.951126 -0.652114
H 0.159011 1.663571 -0.464452
H -5.141278 -2.672921 -0.477888
H -5.376468 -1.957443 1.132819
H -6.337934 -1.386409 -0.221866
H -0.777736 0.250948 -2.182328
H 1.846652 1.431458 1.541927
H 2.147726 -0.869428 -2.097085
H 4.226353 0.959319 2.055198
H 4.549110 -1.350568 -1.592323


%chk=000233587-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000233587

0 1
Br 6.369042 -1.144233 0.238178
O -4.812615 0.395221 0.262437
O -0.063748 0.731715 -1.688091
N -1.933514 0.137748 0.122322
C -2.805414 -1.050081 0.340716
C -4.190097 -0.825967 -0.300861
C -2.568589 1.371015 0.666958
C -0.530116 -0.054941 0.568621
C -3.953314 1.565645 0.030103
C 0.405828 0.839922 -0.312319
C -5.165608 -1.971669 -0.035981
C 1.855987 0.393459 -0.202067
C 2.611712 0.703225 0.955733
C 2.458778 -0.362144 -1.235088
C 3.943297 0.251519 1.096332
C 3.790955 -0.818641 -1.113830
C 4.514219 -0.510000 0.055968
H -2.945866 -1.257002 1.428816
H -2.321817 -1.930676 -0.120532
H -4.047318 -0.673837 -1.395120
H -1.929842 2.242512 0.433280
H -2.674454 1.303128 1.775602
H -0.380725 0.165360 1.649350
H -0.258848 -1.111790 0.392430
H -4.483066 2.417232 0.487958
H -3.840432 1.742822 -1.061487
H 0.326761 1.896385 0.031256
H -4.787040 -2.917523 -0.463783
H -5.318726 -2.107994 1.049224
H -6.143267 -1.746654 -0.494330
H -1.046252 0.518399 -1.574045
H 2.170933 1.308891 1.757550
H 1.876044 -0.567518 -2.137434
H 4.522846 0.492933 1.991942
H 4.255268 -1.396961 -1.918007


