%chk=000221829.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221829

0 1
Br 6.306988 0.248977 -0.168191
Cl -1.874358 1.164435 -1.921018
O -0.393306 0.708924 1.713660
N 0.220119 -0.380873 -0.229123
C 1.637238 -0.199037 -0.175606
C -2.134231 -0.235936 0.373379
C -0.712393 0.109021 0.708800
C 2.274894 0.467531 0.886745
C 2.397767 -0.729931 -1.241219
C -2.765684 0.219831 -0.788666
C -2.873604 -0.994290 1.293204
C 3.663596 0.599286 0.884614
C 3.785394 -0.594414 -1.235136
C -4.105304 -0.068563 -1.056740
C -4.213113 -1.297017 1.034083
C 4.406657 0.067738 -0.172611
C -4.826836 -0.835116 -0.135998
H -0.134663 -0.863139 -1.060678
H 1.688221 0.886089 1.713635
H 1.914493 -1.243299 -2.069720
H -2.397718 -1.337622 2.215411
H 4.157770 1.117364 1.709638
H 4.374457 -1.004381 -2.057706
H -4.579755 0.302154 -1.966049
H -4.783084 -1.888899 1.750734
H -5.874543 -1.069235 -0.331442


%chk=000221829-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000221829

0 1
Br 6.454573 0.300008 -0.078107
Cl -1.840135 -0.190992 -2.580190
O -0.371972 -0.084309 1.909990
N 0.276780 -0.239519 -0.326627
C 1.687302 -0.108758 -0.198310
C -2.139181 -0.391513 0.289013
C -0.674983 -0.218931 0.681779
C 2.356379 0.069635 1.043121
C 2.448354 -0.164352 -1.398892
C -2.763067 -0.406292 -0.986853
C -3.012431 -0.553568 1.405871
C 3.762608 0.189309 1.070702
C 3.851296 -0.044599 -1.370785
C -4.151989 -0.572056 -1.157998
C -4.399999 -0.723978 1.263872
C 4.497905 0.131734 -0.129499
C -4.977829 -0.735329 -0.025907
H -0.067815 -0.344561 -1.286821
H 1.775210 0.113160 1.965006
H 1.944134 -0.301871 -2.363255
H -2.535699 -0.529888 2.391159
H 4.274344 0.326746 2.027563
H 4.426785 -0.088274 -2.299572
H -4.577533 -0.570835 -2.165275
H -5.027253 -0.846092 2.152358
H -6.056783 -0.865279 -0.158345


