%chk=000231516.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231516

0 1
Br -0.477880 3.658843 0.032865
O -4.626749 0.765976 0.004353
C 1.704553 -0.537582 -0.006518
C 2.400651 -1.872597 -0.043615
C 3.879901 -1.798065 0.355668
C 4.574911 -0.644381 -0.372553
C 3.926099 0.691568 0.007876
C 2.422425 0.643941 -0.005897
C 0.263188 -0.500428 -0.003936
C -0.418444 0.749535 0.006109
C 1.738649 1.901362 0.009007
C 0.371780 1.942272 0.014483
C -0.522006 -1.698291 -0.012511
C -1.845849 0.766756 0.005715
C -2.574523 -0.405779 -0.004836
C -1.892990 -1.656444 -0.013385
C -4.068521 -0.311959 -0.006035
C -4.858134 -1.590024 -0.020719
H 1.883161 -2.595830 0.621136
H 2.312830 -2.283282 -1.073457
H 3.967363 -1.659932 1.451337
H 4.380712 -2.756901 0.126121
H 4.511449 -0.795856 -1.468055
H 5.653023 -0.625268 -0.127298
H 4.290265 1.487107 -0.674798
H 4.257544 0.993658 1.025770
H 2.333600 2.817226 0.015372
H -0.010099 -2.661088 -0.015909
H -2.385123 1.724660 0.013454
H -2.467939 -2.582284 -0.020231
H -4.653082 -2.208751 0.862006
H -4.648000 -2.191590 -0.914042
H -5.939063 -1.376473 -0.021680


%chk=000231516-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000231516

0 1
Br -0.488402 3.736068 0.069187
O -4.691822 0.806975 0.003282
C 1.716670 -0.550992 0.022061
C 2.434237 -1.900092 0.032213
C 3.940354 -1.798581 0.361396
C 4.597755 -0.649055 -0.428295
C 3.967138 0.693351 -0.006819
C 2.441975 0.653616 0.013967
C 0.271337 -0.505138 0.007903
C -0.438166 0.767917 0.023367
C 1.748603 1.909725 0.027284
C 0.362550 1.962104 0.040670
C -0.522103 -1.702319 -0.029634
C -1.862791 0.778273 0.016800
C -2.609470 -0.410250 -0.012665
C -1.914998 -1.663956 -0.040717
C -4.110396 -0.318126 -0.015475
C -4.924711 -1.607998 -0.048126
H 1.950079 -2.575498 0.763694
H 2.308362 -2.383434 -0.959782
H 4.073281 -1.613113 1.446140
H 4.432129 -2.763265 0.136280
H 4.445290 -0.813149 -1.513728
H 5.689135 -0.624962 -0.251808
H 4.300539 1.507628 -0.678798
H 4.331704 0.965403 1.006267
H 2.332959 2.835693 0.025808
H -0.019046 -2.673055 -0.057539
H -2.408313 1.727223 0.033434
H -2.478573 -2.602012 -0.071709
H -4.701694 -2.242028 0.830438
H -4.694523 -2.202322 -0.952272
H -5.995389 -1.354531 -0.047030


