%chk=000221318.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221318

0 1
Br 0.527074 -1.833792 1.156193
O 1.602452 1.711137 0.641068
O -2.361204 2.659919 1.009926
O -2.742356 3.293500 -1.019135
N -2.143603 2.636106 -0.189498
C -0.882512 0.490929 0.236188
C -0.992673 1.743061 -0.678652
C 0.432911 -0.260595 -0.025874
C -2.091287 -0.414057 0.099714
C -1.170763 1.440249 -2.156288
C 1.692738 0.565087 0.254846
C -3.157262 -0.247195 0.997883
C -2.175696 -1.401985 -0.892198
C 3.011010 -0.087620 0.026681
C -4.290460 -1.058394 0.904096
C -3.310488 -2.213259 -0.981401
C -4.369768 -2.043860 -0.084954
C 3.178976 -1.194426 -0.819868
C 4.124561 0.456989 0.689123
C 4.447453 -1.750095 -0.997574
C 5.390989 -0.105645 0.513155
C 5.552739 -1.209165 -0.329668
H -0.843204 0.877239 1.301426
H -0.061989 2.372360 -0.526082
H 0.457189 -0.653798 -1.069778
H -0.295936 0.928579 -2.570732
H -1.319144 2.364269 -2.740364
H -2.053862 0.812478 -2.349692
H -3.106581 0.526383 1.769254
H -1.357701 -1.551844 -1.593378
H -5.113539 -0.920530 1.604609
H -3.367607 -2.981129 -1.751192
H -5.252439 -2.676668 -0.155876
H 2.327881 -1.629860 -1.343465
H 3.989261 1.325352 1.341162
H 4.576834 -2.609559 -1.654315
H 6.250403 0.317184 1.032638
H 6.540505 -1.649844 -0.467776


%chk=000221318-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000221318

0 1
Br 0.322681 -1.887192 1.766585
O 1.587076 1.468087 1.289686
O -2.394632 2.843655 0.925596
O -2.847686 2.815291 -1.304148
N -2.129208 2.505075 -0.287725
C -0.940398 0.407431 0.430623
C -0.838701 1.674105 -0.507342
C 0.367866 -0.405562 0.342236
C -2.186500 -0.437178 0.148055
C -0.613863 1.425926 -1.999892
C 1.659502 0.379174 0.644463
C -3.318027 -0.293987 0.990542
C -2.262820 -1.343882 -0.941463
C 2.971535 -0.141865 0.145013
C -4.496911 -1.033758 0.750389
C -3.438908 -2.086475 -1.182329
C -4.562196 -1.932621 -0.337971
C 3.112299 -1.386131 -0.530481
C 4.124005 0.666390 0.355543
C 4.377714 -1.806094 -0.989392
C 5.385701 0.246096 -0.105315
C 5.515636 -0.991501 -0.781750
H -1.007485 0.818732 1.453480
H -0.049386 2.320223 -0.082735
H 0.444304 -0.973965 -0.596379
H 0.355061 0.915438 -2.149540
H -0.580007 2.380974 -2.548360
H -1.417766 0.814264 -2.438354
H -3.271787 0.400287 1.837040
H -1.402603 -1.489110 -1.606328
H -5.360717 -0.908332 1.412269
H -3.478767 -2.784476 -2.026010
H -5.475254 -2.508588 -0.524645
H 2.250980 -2.046345 -0.673175
H 3.998838 1.617079 0.884023
H 4.479725 -2.768509 -1.501756
H 6.266426 0.875504 0.060089
H 6.497175 -1.320658 -1.140341


