%chk=000248789.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248789

0 1
Br 5.202068 -2.517663 1.370224
O 0.779648 1.286889 -0.222058
O -5.456279 -0.785494 0.344155
O 4.401328 1.665713 -1.838570
O 2.387731 2.422126 -1.609441
N -3.364903 -1.229667 -0.525117
N 3.278777 1.635516 -1.355767
C -0.578703 1.090774 0.136093
C 1.715690 0.375301 0.170959
C -2.655566 -0.091690 -0.043114
C -1.272953 -0.028754 -0.320881
C 2.999637 0.557294 -0.394752
C -1.164319 2.134614 0.849825
C -3.280640 0.944257 0.680805
C 1.482919 -0.664629 1.096043
C -2.537546 2.042249 1.110634
C 4.045023 -0.316002 -0.028695
C 2.521555 -1.513437 1.448146
C 3.798234 -1.336882 0.878799
C -4.743166 -1.510377 -0.314052
C -5.202271 -2.776700 -0.976579
H -0.761867 -0.798084 -0.891318
H -0.574272 2.991113 1.168908
H -4.353994 0.890048 0.901992
H 0.494264 -0.787576 1.541789
H -3.033088 2.844293 1.662552
H 5.039435 -0.166065 -0.476539
H -2.818555 -1.885795 -1.088939
H 2.349172 -2.318250 2.170135
H -5.098382 -2.744190 -2.070151
H -6.274802 -2.939255 -0.766721
H -4.671875 -3.666179 -0.610564


%chk=000248789-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248789

0 1
Br 6.055182 -0.492232 2.478085
O 0.757279 0.119241 -0.630866
O -5.818842 -0.582552 0.353063
O 4.273971 0.879679 -2.484986
O 2.232717 1.847557 -2.161308
N -3.878844 -1.159755 -0.840756
N 3.205805 1.094253 -1.786422
C -0.533171 0.240066 -0.036813
C 1.910777 0.071454 0.148393
C -2.886812 -0.380440 -0.182948
C -1.550520 -0.512086 -0.645485
C 3.142659 0.462974 -0.445239
C -0.797100 1.138437 1.019675
C -3.179166 0.503506 0.891804
C 1.936963 -0.482375 1.452973
C -2.130381 1.248632 1.471361
C 4.371511 0.279240 0.228054
C 3.152833 -0.639511 2.144896
C 4.364727 -0.260167 1.523297
C -5.251042 -1.234466 -0.570343
C -6.027312 -2.175706 -1.488394
H -1.290789 -1.179311 -1.474746
H 0.001317 1.746353 1.454893
H -4.207500 0.596859 1.242597
H 1.002009 -0.808164 1.916909
H -2.360947 1.942804 2.286409
H 5.295865 0.567184 -0.278333
H -3.542077 -1.736604 -1.614589
H 3.156326 -1.068707 3.150669
H -6.801092 -1.597139 -2.021983
H -6.550393 -2.925510 -0.870644
H -5.401653 -2.700017 -2.231420


