%chk=000194199.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194199

0 1
Br 3.171747 -4.413051 -1.469653
O 2.477461 -1.381125 -0.427923
O 4.273457 1.065645 0.460375
O -6.296819 -1.100082 0.417260
O 3.026681 -2.342220 1.552029
C 0.852950 1.930191 0.300897
C -0.527497 1.617833 -0.289888
C 1.928039 0.963011 -0.286688
C -0.923023 0.183833 0.168066
C 1.569045 -0.437387 0.236573
C 0.158075 -0.851945 -0.206480
C -2.295340 -0.223622 -0.430309
C 1.468697 3.329213 0.106412
C -1.593332 2.614251 0.185807
C 3.230900 1.615290 0.224619
C 2.972891 3.111949 0.366376
C -2.952299 2.277082 -0.432198
C -3.356976 0.841621 -0.235032
C 2.036819 0.970598 -1.815651
C -2.748478 -1.571022 0.175554
C -4.166809 -1.945012 -0.247171
C -4.643211 0.535363 0.005901
C -5.152545 -0.846864 0.105374
C 3.186962 -2.254686 0.360545
C 4.136309 -3.021905 -0.514345
H 0.792132 1.756963 1.408839
H -0.473971 1.649701 -1.404648
H -1.023003 0.193855 1.282891
H 1.709620 -0.520721 1.338565
H -0.081989 -1.835337 0.246302
H 0.164431 -1.032491 -1.301170
H -2.179192 -0.352755 -1.538944
H 1.037303 4.067710 0.800682
H 1.289328 3.713196 -0.912210
H -1.304898 3.646856 -0.088854
H -1.668376 2.605984 1.291080
H 3.272064 3.453089 1.374834
H 3.607632 3.681894 -0.334770
H -2.935912 2.485190 -1.525266
H -3.722704 2.963649 -0.020669
H 2.752649 0.201637 -2.146319
H 1.075288 0.738472 -2.289816
H 2.368940 1.936938 -2.208621
H -2.696135 -1.520236 1.282676
H -2.048586 -2.375377 -0.125059
H -4.479979 -2.896730 0.229410
H -4.223913 -2.135268 -1.338270
H -5.410138 1.299716 0.142114
H 4.929196 -3.499566 0.098350
H 4.624709 -2.360732 -1.260675


%chk=000194199-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194199

0 1
Br 3.190740 -4.521370 -1.612738
O 2.617466 -1.330587 -0.432264
O 4.303968 1.118718 0.546644
O -6.275906 -1.218079 0.741061
O 2.560181 -2.609187 1.524927
C 0.861671 2.002509 0.206792
C -0.540202 1.671444 -0.337327
C 1.965811 1.045052 -0.350799
C -0.899683 0.211913 0.089075
C 1.624984 -0.368921 0.143197
C 0.210407 -0.808607 -0.296861
C -2.292749 -0.235438 -0.472498
C 1.470382 3.418515 0.016537
C -1.623494 2.647122 0.168828
C 3.237306 1.698134 0.238109
C 2.963784 3.210862 0.401105
C -3.009138 2.264140 -0.403429
C -3.370352 0.808690 -0.167572
C 2.133694 1.098286 -1.899538
C -2.690363 -1.639989 0.056024
C -4.163364 -1.996639 -0.231557
C -4.629537 0.460695 0.249583
C -5.115250 -0.933867 0.314567
C 3.006909 -2.389467 0.376182
C 4.062313 -3.224914 -0.319203
H 0.822017 1.826843 1.308626
H -0.525621 1.729087 -1.447683
H -0.985087 0.220211 1.199561
H 1.714418 -0.424059 1.245993
H 0.003971 -1.787234 0.170579
H 0.207436 -0.967221 -1.393054
H -2.190716 -0.288499 -1.582743
H 0.979825 4.174587 0.652693
H 1.370014 3.754656 -1.032187
H -1.378356 3.684133 -0.129233
H -1.654038 2.624528 1.277387
H 3.159519 3.478639 1.457039
H 3.676898 3.797232 -0.206049
H -2.982848 2.437703 -1.501979
H -3.799850 2.922087 0.000363
H 2.948236 0.418773 -2.199126
H 1.215534 0.780201 -2.421124
H 2.383947 2.114551 -2.251192
H -2.519776 -1.665482 1.151616
H -2.037113 -2.411353 -0.389508
H -4.437664 -2.976330 0.196686
H -4.329092 -2.064603 -1.327402
H -5.367272 1.233695 0.501932
H 4.595829 -3.849798 0.407563
H 4.738409 -2.608766 -0.926698


