%chk=000246947.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000246947

0 1
Br -0.927271 1.769042 -1.188516
Br -4.117207 1.292749 0.108416
O 3.538232 0.587548 -0.042918
O -0.524220 -1.742876 -0.589717
N 0.940822 -0.420352 0.531031
C 1.402973 0.863597 1.113691
C 2.064646 -1.350674 0.219579
C 2.457494 1.509846 0.195664
C 3.103126 -0.641242 -0.662992
C -0.305356 -0.676732 -0.034268
C -1.388558 0.390306 0.136891
C -2.785807 -0.177806 -0.111506
C -3.130098 -1.294657 0.850659
H 1.863424 0.634932 2.105742
H 0.564137 1.561595 1.308159
H 1.671786 -2.265554 -0.286196
H 2.523110 -1.674129 1.180777
H 2.032114 1.830495 -0.771440
H 2.971634 2.357068 0.684338
H 4.046513 -1.211568 -0.739532
H 2.710772 -0.419649 -1.671061
H -1.337802 0.877207 1.141264
H -2.895459 -0.518229 -1.171197
H -4.155803 -1.662118 0.697843
H -2.462029 -2.161478 0.690286
H -3.050572 -0.999822 1.903903


%chk=000246947-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000246947

0 1
Br -1.142522 1.878177 -1.351442
Br -4.248821 1.220292 0.259143
O 3.661094 0.520493 0.132896
O -0.556276 -1.681366 -0.828664
N 0.927987 -0.361564 0.387829
C 1.377283 0.885049 1.051274
C 2.022852 -1.343954 0.183751
C 2.566574 1.491219 0.269252
C 3.185126 -0.680454 -0.578904
C -0.316100 -0.619851 -0.167188
C -1.434104 0.418125 0.062932
C -2.827010 -0.215048 -0.069766
C -3.062464 -1.347174 0.942835
H 1.704497 0.640217 2.081002
H 0.564741 1.625153 1.103882
H 1.612331 -2.200224 -0.375711
H 2.377917 -1.687291 1.174737
H 2.220705 1.823457 -0.732646
H 2.994611 2.346578 0.816857
H 4.055184 -1.354167 -0.634257
H 2.859939 -0.406452 -1.604850
H -1.347889 0.955046 1.021107
H -3.009695 -0.547889 -1.101636
H -4.099811 -1.710717 0.863047
H -2.379194 -2.183104 0.713050
H -2.896354 -1.007052 1.980370


