%chk=000238640.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238640

0 1
Br 5.240197 -0.120015 1.380428
O -2.308217 1.564699 -2.001928
O -1.300382 2.396789 -0.191642
N -0.389146 -0.588173 -0.958142
C -1.630003 -0.065105 -0.346006
C -2.870299 -0.845168 -0.854753
C -1.697942 -0.140753 1.201380
C -3.919021 -0.724856 0.259197
C -3.147646 -0.492943 1.571558
C -1.700558 1.420472 -0.781033
C 0.884892 -0.477074 -0.343218
C 1.846962 -1.474392 -0.630746
C 1.240347 0.628926 0.456614
C 3.140241 -1.360720 -0.124308
C 2.534249 0.731840 0.963066
C 3.472486 -0.263537 0.674356
H -2.619186 -1.906625 -1.034216
H -3.240644 -0.448633 -1.819184
H -1.382208 0.811490 1.670532
H -0.997400 -0.906112 1.583087
H -4.550575 -1.627200 0.314374
H -4.604682 0.118447 0.056875
H -3.612197 0.316115 2.162400
H -3.176833 -1.393172 2.210167
H -0.530625 -1.434957 -1.513534
H -2.319289 2.512197 -2.310830
H 1.590181 -2.328391 -1.252399
H 0.521398 1.426854 0.661427
H 3.881521 -2.129317 -0.351186
H 2.806978 1.592413 1.578064


%chk=000238640-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000238640

0 1
Br 5.431181 0.266456 0.816636
O -1.062113 1.252805 -2.105927
O -1.925104 2.384740 -0.277954
N -0.511333 -0.940295 -0.520527
C -1.671967 -0.110770 -0.175288
C -2.975353 -0.771226 -0.769995
C -1.945301 -0.014545 1.370128
C -4.074489 -0.499195 0.279308
C -3.318373 -0.699618 1.614488
C -1.566829 1.307470 -0.802208
C 0.820284 -0.625697 -0.210841
C 1.860277 -1.466539 -0.707358
C 1.184495 0.490704 0.597820
C 3.211575 -1.207832 -0.411043
C 2.538952 0.749428 0.899797
C 3.543116 -0.098634 0.396302
H -2.792743 -1.862485 -0.833651
H -3.212707 -0.403175 -1.782659
H -1.993705 1.046798 1.668971
H -1.129621 -0.498111 1.931675
H -4.941900 -1.171631 0.160638
H -4.437909 0.542632 0.198214
H -3.848786 -0.269462 2.481551
H -3.182278 -1.781151 1.807571
H -0.647461 -1.586462 -1.299315
H -1.015202 2.174530 -2.478529
H 1.606389 -2.332556 -1.330869
H 0.425699 1.169926 0.995886
H 3.993740 -1.864380 -0.803308
H 2.800067 1.611373 1.520888


