%chk=000218788.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218788

0 1
Br 6.603783 -0.750024 -0.090916
S -7.895081 -0.612754 -0.089889
O 0.830831 0.782046 0.056639
N -3.946063 0.378589 0.022495
N 2.459639 -0.908979 -0.120651
C -1.486166 0.512273 0.006490
C -2.692681 -0.433690 0.092725
C -0.187820 -0.280732 -0.072339
C -5.168933 -0.475553 0.156243
C -6.389551 0.404286 -0.101009
C 2.133843 0.410566 0.018475
C 3.082900 1.458257 0.132774
C 4.425234 1.109495 0.099626
C 4.779196 -0.244045 -0.043008
C 3.782613 -1.223843 -0.150609
H -1.585110 1.176354 -0.879893
H -1.453012 1.199617 0.876574
H -2.626112 -1.060843 1.008568
H -2.691276 -1.130773 -0.776738
H -0.034651 -0.789076 -1.039138
H -0.046505 -0.991853 0.758805
H -3.939582 1.092381 0.759584
H -5.241282 -0.978705 1.145175
H -5.115641 -1.285583 -0.609185
H -6.324922 0.876340 -1.106289
H -6.468374 1.235870 0.621012
H 2.747760 2.486738 0.239705
H -7.993715 -0.858740 1.232304
H 5.197799 1.878231 0.183163
H 4.020878 -2.290651 -0.263892


%chk=000218788-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218788

0 1
Br 6.685049 -0.934563 -0.128048
S -8.042028 -0.620913 -0.226590
O 0.875497 0.895847 0.049325
N -3.985716 0.345631 0.147774
N 2.467243 -0.858587 -0.038296
C -1.517085 0.583932 0.081253
C -2.707738 -0.396436 0.099106
C -0.178845 -0.154346 0.032183
C -5.203285 -0.491441 0.124267
C -6.440252 0.388497 -0.117945
C 2.192257 0.470197 0.008104
C 3.194675 1.478786 0.017530
C 4.539154 1.073070 -0.022313
C 4.828779 -0.313249 -0.070329
C 3.775679 -1.247049 -0.077468
H -1.611939 1.252998 -0.792448
H -1.540580 1.222499 0.986856
H -2.587750 -1.113424 0.951925
H -2.704099 -1.004418 -0.827557
H -0.065810 -0.759897 -0.886358
H -0.031419 -0.822559 0.901356
H -3.999044 1.020920 0.925323
H -5.347636 -1.094470 1.056737
H -5.111493 -1.214458 -0.707667
H -6.360348 0.900970 -1.089476
H -6.562263 1.150998 0.671163
H 2.909994 2.532882 0.054479
H -8.006144 -1.095721 1.075664
H 5.344217 1.813212 -0.016746
H 3.968928 -2.323710 -0.115001


