%chk=000270028.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270028

0 1
Br 2.443916 1.709992 2.203302
O -2.296507 -3.696133 0.560046
O -0.864759 2.101157 -0.370907
O -4.247951 -2.038601 0.307078
O 6.759027 0.052087 -0.202824
N 1.212811 0.539961 -0.109351
C -1.095733 -0.222120 0.007534
C -2.016901 -1.308147 0.185385
C 0.290310 -0.481805 0.041809
C -3.089544 1.353063 -0.231088
C -3.984912 0.284906 -0.055114
C -1.608545 1.135971 -0.207466
C -3.471837 -1.092786 0.157815
C -1.530953 -2.595546 0.387659
C 0.759658 -1.837484 0.266906
C -0.116821 -2.862769 0.433282
C -3.584358 2.647550 -0.430740
C -5.366465 0.514706 -0.079476
C 2.623745 0.323045 -0.221134
C -4.965256 2.874220 -0.454655
C -5.854650 1.810563 -0.279445
C 3.419416 0.860041 0.816788
C 3.232118 -0.333449 -1.296181
C 4.796170 0.763620 0.799167
C 4.625157 -0.456610 -1.335444
C 5.391114 0.091607 -0.297976
C 7.497963 -0.594247 -1.269746
H 1.836781 -2.015497 0.318900
H 0.873225 1.524601 -0.214770
H 0.201785 -3.892624 0.608696
H -2.878323 3.473344 -0.566402
H -6.051244 -0.327454 0.059241
H -5.345300 3.884284 -0.610244
H -6.930052 1.987937 -0.297900
H 2.622925 -0.744457 -2.103175
H -3.313535 -3.476156 0.531108
H 5.425757 1.177607 1.587708
H 5.092567 -0.968496 -2.172060
H 7.331366 -0.074521 -2.217581
H 7.234489 -1.654043 -1.327512
H 8.534546 -0.465118 -0.928135


%chk=000270028-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000270028

0 1
Br 2.764438 2.549129 1.971703
O -2.490509 -3.785113 0.192098
O -0.765952 2.095861 0.086249
O -4.336956 -2.139890 -0.042740
O 6.845406 0.318120 -0.484361
N 1.217551 0.442821 0.193655
C -1.108885 -0.297199 0.106182
C -2.060337 -1.379955 0.097161
C 0.297439 -0.594365 0.197028
C -3.042199 1.330554 -0.118862
C -3.976161 0.249960 -0.143604
C -1.582427 1.086074 0.025317
C -3.495739 -1.137393 -0.027844
C -1.616264 -2.735048 0.204032
C 0.704463 -1.970148 0.347317
C -0.220593 -3.007203 0.352163
C -3.517244 2.662562 -0.223018
C -5.364280 0.514427 -0.272928
C 2.619008 0.349255 0.024249
C -4.895805 2.916571 -0.354468
C -5.822676 1.840301 -0.379418
C 3.497552 1.239546 0.712879
C 3.215033 -0.558371 -0.892849
C 4.885381 1.211005 0.520299
C 4.608232 -0.616745 -1.091680
C 5.451368 0.270786 -0.378008
C 7.487332 -0.621907 -1.409286
H 1.762979 -2.194932 0.502133
H 0.752013 1.386518 0.241847
H 0.090454 -4.047238 0.485888
H -2.783410 3.473665 -0.196484
H -6.053878 -0.335033 -0.285944
H -5.255643 3.947797 -0.436614
H -6.894028 2.043655 -0.480185
H 2.563786 -1.204916 -1.489020
H -3.454015 -3.359076 0.092712
H 5.548364 1.894606 1.055987
H 5.014397 -1.330770 -1.813070
H 7.155210 -0.449081 -2.451189
H 7.284021 -1.671169 -1.120179
H 8.563775 -0.415461 -1.324052


