%chk=000250058.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250058

0 1
Br 3.042868 2.344495 0.648399
O 5.749201 0.801576 -0.169103
N -0.035125 -0.705516 0.113268
N 1.009736 0.180457 0.259995
N 4.803061 -1.208144 -0.658095
N 3.775948 -2.057541 -0.783287
C -1.833935 2.011753 -0.166438
C -2.262882 3.377055 0.384968
C -1.738832 0.964694 0.953440
C -2.351552 4.426978 -0.731872
C -1.255843 -0.359780 0.417558
C -2.293523 -1.405091 0.195119
C -2.777897 5.789087 -0.190456
C -2.633546 -1.789559 -1.109320
C -2.936567 -1.988470 1.297232
C -3.628349 -2.751536 -1.308674
C -3.926965 -2.951160 1.087833
C -4.275703 -3.330956 -0.213106
C 2.284041 -0.280683 -0.046255
C 3.356456 0.585801 0.077020
C 2.556343 -1.643615 -0.497740
C 4.710343 0.183063 -0.221978
H -0.866323 2.105710 -0.696433
H -2.559010 1.667969 -0.932180
H -1.550707 3.717564 1.161157
H -3.242559 3.290634 0.894266
H -2.735925 0.843262 1.430238
H -1.078934 1.321405 1.770667
H -3.068109 4.092989 -1.508124
H -1.373073 4.518669 -1.243661
H -3.762630 5.745391 0.288766
H -2.839020 6.532185 -0.994256
H -2.068259 6.170933 0.552493
H -2.119165 -1.346203 -1.961081
H -2.659060 -1.700519 2.309671
H 0.860016 1.147100 0.588023
H -3.895436 -3.052178 -2.321106
H -4.426534 -3.409241 1.940544
H -5.049037 -4.081108 -0.371731
H 1.727819 -2.359533 -0.607294
H 5.728067 -1.595939 -0.896666


%chk=000250058-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000250058

0 1
Br 3.003692 2.505480 0.583439
O 5.707252 1.111256 -0.430046
N -0.056063 -0.811625 0.007995
N 0.964265 0.107991 0.161965
N 4.783357 -0.969462 -0.966864
N 3.796181 -1.906671 -1.094182
C -1.893376 1.970778 -0.052819
C -2.122904 3.364995 0.570571
C -1.606412 0.876413 1.019333
C -2.417037 4.455466 -0.485193
C -1.281710 -0.477915 0.404594
C -2.343230 -1.494523 0.172343
C -2.640347 5.848969 0.140013
C -2.035025 -2.722577 -0.489482
C -3.688460 -1.282427 0.585421
C -3.025382 -3.693636 -0.715198
C -4.683605 -2.259092 0.355798
C -4.359991 -3.470588 -0.291588
C 2.261849 -0.212584 -0.205779
C 3.313684 0.709826 -0.095192
C 2.571030 -1.535803 -0.722634
C 4.679666 0.378632 -0.478022
H -1.055429 2.024953 -0.777179
H -2.785222 1.671438 -0.637774
H -1.228044 3.660668 1.158511
H -2.965942 3.315848 1.291093
H -2.479362 0.801100 1.688206
H -0.779179 1.213940 1.679471
H -3.311479 4.163383 -1.072200
H -1.574515 4.501848 -1.204592
H -3.488696 5.834916 0.850077
H -2.860660 6.607734 -0.632792
H -1.744032 6.184446 0.694843
H -1.007112 -2.888579 -0.822248
H -3.978884 -0.356533 1.091714
H 0.802020 1.050278 0.543150
H -2.763008 -4.627915 -1.224031
H -5.711596 -2.069791 0.684181
H -5.131240 -4.228119 -0.468181
H 1.777757 -2.276463 -0.817752
H 5.716588 -1.274056 -1.257169


