%chk=000250354.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250354

0 1
Br 5.026311 -2.330334 0.732581
O 0.136381 1.182208 0.134608
O 3.597137 2.345946 -1.417330
O 1.541366 2.798645 -0.915226
O -4.929070 -1.963174 -0.361718
O -3.002227 -2.603949 -1.112619
N 2.520869 2.077985 -0.908230
N -3.729080 -1.825304 -0.520569
C 1.185347 0.311334 0.300030
C -1.179042 0.763554 0.403364
C 2.412520 0.776094 -0.226839
C -1.735478 -0.377894 -0.173844
C 1.111478 -0.925073 0.966600
C -3.097335 -0.610642 0.064127
C -1.924277 1.669142 1.176336
C 3.564843 -0.024155 -0.095091
C 2.257190 -1.702557 1.091281
C 3.476975 -1.249219 0.555889
C -3.875208 0.266848 0.829010
C -3.279806 1.409986 1.378578
H -1.149364 -1.060389 -0.799120
H 0.170341 -1.269014 1.396810
H -1.439408 2.558735 1.586774
H 4.514855 0.341689 -0.515077
H 2.207445 -2.667114 1.608548
H -4.939550 0.057301 0.988207
H -3.883615 2.102751 1.970017


%chk=000250354-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000250354

0 1
Br 5.008111 -2.521696 0.448447
O 0.142523 1.293166 0.509556
O 3.353849 2.016443 -1.982673
O 1.849124 3.037529 -0.603782
O -4.829173 -2.049685 -0.571896
O -2.707338 -2.582296 -1.217883
N 2.528934 2.014450 -0.985299
N -3.562277 -1.816879 -0.626836
C 1.214679 0.393137 0.482086
C -1.200966 0.849985 0.598233
C 2.396478 0.744091 -0.229077
C -1.670098 -0.313854 -0.043260
C 1.191026 -0.833385 1.190921
C -3.051484 -0.586856 0.039280
C -2.079851 1.723610 1.278118
C 3.513492 -0.122672 -0.252714
C 2.306173 -1.691536 1.188691
C 3.462012 -1.329985 0.459610
C -3.961340 0.253376 0.714904
C -3.456439 1.418896 1.330665
H -1.018958 -0.988404 -0.605246
H 0.298743 -1.112534 1.758327
H -1.672251 2.626849 1.740407
H 4.389935 0.173686 -0.834024
H 2.274562 -2.628091 1.751886
H -5.021514 -0.008522 0.743214
H -4.138353 2.094579 1.855442