%chk=000181073.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181073

0 1
Br 3.154650 3.864770 -3.108297
O 1.847824 -1.480846 1.033873
O -5.966336 2.180289 1.129613
O -4.002950 3.265903 0.838168
C -0.255203 -2.303731 0.387463
C 1.238059 -2.281081 -0.021586
C -1.020378 -3.293828 -0.510683
C 1.869195 -3.681240 0.001143
C -0.398371 -4.694654 -0.465922
C 1.079206 -4.655845 -0.877526
C -0.855160 -0.888216 0.296725
C -2.163784 -0.764557 1.086270
C 3.165960 -0.982370 0.759933
C -2.752770 0.605067 0.986784
C 3.153211 0.180394 -0.199679
C -4.067870 0.846544 1.079575
C 4.273722 0.441463 -1.001025
C 2.035207 1.023386 -0.268721
C 4.278139 1.539154 -1.867281
C 2.027278 2.120833 -1.131845
C -4.590754 2.218333 0.996164
C 3.153340 2.364866 -1.922067
C -6.656038 3.456272 1.071794
H -0.305700 -2.651570 1.449329
H 1.393253 -1.777186 -0.996786
H -1.036321 -2.923892 -1.554176
H -2.078888 -3.341996 -0.192217
H 2.921141 -3.630750 -0.333624
H 1.903855 -4.046141 1.047198
H -0.493696 -5.117865 0.552802
H -0.958792 -5.376500 -1.132816
H 1.166477 -4.361896 -1.941565
H 1.519329 -5.668335 -0.804384
H -0.104943 -0.158544 0.690370
H -1.021955 -0.608757 -0.761148
H -1.979564 -0.994766 2.161248
H -2.885972 -1.537335 0.746563
H 3.492109 -0.652570 1.770336
H 3.819302 -1.804858 0.418401
H -2.039908 1.428156 0.845863
H -4.818645 0.066371 1.218781
H 5.148025 -0.206166 -0.954111
H 1.161885 0.800842 0.360775
H 5.151319 1.741265 -2.488784
H 1.155388 2.775030 -1.181331
H -7.706022 3.165534 1.177578
H -6.320356 4.091516 1.897453
H -6.458097 3.938908 0.109471


%chk=000181073-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000181073

0 1
Br 3.376011 3.331470 -3.862592
O 1.756494 -1.256316 1.244888
O -5.933195 2.349275 0.616063
O -4.226132 2.878000 2.122182
C -0.287257 -2.336020 0.522862
C 1.201512 -2.108879 0.163127
C -0.936754 -3.297813 -0.509775
C 1.976940 -3.438046 0.039360
C -0.162821 -4.628929 -0.651537
C 1.319565 -4.372887 -1.003952
C -1.041347 -0.985925 0.632089
C -2.496865 -1.119819 1.161665
C 3.094586 -0.701491 0.989255
C -3.100114 0.222983 1.481700
C 3.150228 0.254754 -0.196117
C -4.241571 0.728194 0.935363
C 4.166704 0.139465 -1.174386
C 2.196898 1.297210 -0.326093
C 4.246643 1.044212 -2.259501
C 2.254987 2.207642 -1.403181
C -4.743098 2.068368 1.310758
C 3.284952 2.068703 -2.358256
C -6.538796 3.667799 0.907793
H -0.304840 -2.827039 1.520702
H 1.261144 -1.554083 -0.801325
H -0.979037 -2.789717 -1.496781
H -1.983025 -3.505940 -0.216127
H 3.029497 -3.244317 -0.244378
H 1.988555 -3.928406 1.033320
H -0.219074 -5.189853 0.304112
H -0.638235 -5.262748 -1.424776
H 1.381811 -3.907032 -2.009258
H 1.877777 -5.326929 -1.058635
H -0.468437 -0.328767 1.312173
H -1.059201 -0.489665 -0.360129
H -2.467250 -1.729993 2.090496
H -3.134198 -1.659403 0.437360
H 3.326933 -0.168969 1.929611
H 3.846273 -1.507606 0.861534
H -2.563699 0.850990 2.210785
H -4.832529 0.170009 0.201254
H 4.910667 -0.662711 -1.096063
H 1.397915 1.390746 0.418015
H 5.037054 0.947256 -3.009308
H 1.515824 3.008628 -1.494837
H -7.441802 3.708635 0.282503
H -6.792768 3.745465 1.978780
H -5.837521 4.478902 0.647355


