%chk=000258219.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258219

0 1
Br 4.656833 1.865639 1.885058
O -1.779226 1.993007 -0.258758
O 0.255818 -2.387375 0.457430
N -0.339097 -0.188045 0.085610
C -1.759484 -0.310097 0.193452
C -2.545555 0.870935 0.007790
C 2.010132 -0.798124 0.076589
C 0.580237 -1.236342 0.236244
C -2.418210 -1.510425 0.470500
C -3.933126 0.838286 0.097606
C 2.556320 0.178909 0.918542
C 2.795649 -1.419987 -0.902463
C -3.817873 -1.540682 0.561039
C -4.567368 -0.382740 0.377091
C 3.897347 0.529928 0.750936
C 4.135957 -1.051104 -1.052629
C 4.695708 -0.070976 -0.226317
C -2.472317 3.246715 -0.464599
H 0.002028 0.755859 -0.133902
H -1.841171 -2.432160 0.618092
H -4.529860 1.733918 -0.043252
H 1.947000 0.645111 1.696183
H 2.361751 -2.196397 -1.536716
H -4.313125 -2.486045 0.778232
H -5.653478 -0.414447 0.448773
H 4.750338 -1.532726 -1.814051
H 5.742870 0.213632 -0.345032
H -3.126925 3.178729 -1.338496
H -1.637599 3.935520 -0.649183
H -3.022172 3.528383 0.438331


%chk=000258219-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000258219

0 1
Br 4.344247 2.636822 0.816779
O -1.716259 1.992998 0.002749
O 0.278216 -2.506359 0.004579
N -0.390121 -0.257587 0.013952
C -1.797435 -0.384113 0.122660
C -2.529655 0.845129 0.118964
C 2.000425 -0.799241 -0.066963
C 0.563768 -1.267438 -0.007808
C -2.501735 -1.606262 0.234062
C -3.932706 0.853047 0.226613
C 2.414381 0.500331 0.331980
C 2.969072 -1.733552 -0.512350
C -3.911874 -1.594200 0.343310
C -4.625560 -0.377395 0.339690
C 3.778326 0.839527 0.252406
C 4.328820 -1.370561 -0.584973
C 4.749906 -0.073522 -0.205767
C -2.374529 3.300298 -0.014257
H -0.081470 0.713942 -0.088759
H -1.936367 -2.539639 0.230534
H -4.489434 1.794799 0.224677
H 1.705839 1.229726 0.737574
H 2.628116 -2.736463 -0.786654
H -4.448931 -2.544375 0.429833
H -5.717458 -0.375348 0.423363
H 5.072725 -2.093554 -0.935357
H 5.804233 0.212456 -0.257204
H -3.064460 3.384786 -0.875273
H -1.561880 4.034536 -0.114346
H -2.926798 3.478110 0.928086


