%chk=000251942.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251942

0 1
Br 5.374581 -2.054523 2.168552
O -0.855868 0.558525 -0.508038
O 4.923960 -0.838110 -0.622171
O -0.789735 -1.181161 0.962282
C 2.838927 0.251912 -0.298787
C 0.520065 0.801481 -0.527443
C 1.496663 -0.129338 -0.170578
C 3.182315 1.518724 -0.782305
C 0.834132 2.088008 -1.001289
C -2.906350 -0.428381 0.044532
C 2.177438 2.433567 -1.128288
C 3.944275 -0.701033 0.065732
C -1.443571 -0.452615 0.259484
C -3.694989 -1.299160 0.817061
C -3.504567 0.423761 -0.896477
C -5.079830 -1.311823 0.644892
C -4.891277 0.403657 -1.062544
C 3.712810 -1.455165 1.359107
C -5.677010 -0.461723 -0.293523
H 1.216595 -1.119521 0.195341
H 4.233934 1.789594 -0.897476
H 0.035881 2.780603 -1.262282
H 2.450741 3.421618 -1.501106
H -3.217452 -1.960092 1.545850
H -2.881970 1.096265 -1.492810
H -5.695552 -1.984687 1.241322
H -5.360276 1.062911 -1.792419
H 3.180911 -0.837675 2.109078
H 3.087981 -2.352411 1.172460
H -6.759763 -0.474708 -0.425757


%chk=000251942-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000251942

0 1
Br 5.197119 -2.593861 2.087573
O -0.843166 0.588589 -0.513845
O 5.245736 -0.028327 0.333896
O -0.825669 -1.309139 0.882607
C 2.920498 0.413303 -0.130719
C 0.559315 0.829670 -0.575916
C 1.559173 0.038970 0.033569
C 3.261586 1.560618 -0.893896
C 0.892593 1.973518 -1.337143
C -2.935431 -0.424057 0.042447
C 2.247364 2.334262 -1.492772
C 4.047138 -0.376777 0.488452
C -1.457115 -0.464706 0.205237
C -3.696309 -1.415847 0.717761
C -3.591728 0.553242 -0.751941
C -5.100033 -1.429381 0.599193
C -4.997110 0.534147 -0.867024
C 3.641857 -1.612635 1.304965
C -5.753103 -0.454730 -0.193262
H 1.264907 -0.834248 0.615254
H 4.319666 1.819258 -0.998896
H 0.088440 2.559020 -1.792704
H 2.506310 3.219661 -2.082066
H -3.170002 -2.159807 1.324670
H -2.998224 1.312021 -1.268112
H -5.684733 -2.194590 1.120383
H -5.503848 1.287074 -1.479920
H 2.998329 -1.329769 2.154454
H 3.104269 -2.341019 0.675379
H -6.844831 -0.465960 -0.285226


