%chk=000237079.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000237079

0 1
Br 4.680562 -1.728241 -2.859779
O -3.993286 1.156997 -0.066610
O 1.260684 1.896602 1.894951
N -1.367812 0.439483 0.769012
C -3.509037 -0.197315 -0.270565
C -2.491922 -0.552192 0.836804
C -1.897931 1.823842 1.008349
C -2.934293 2.133855 -0.081345
C -4.789765 -1.037049 -0.201748
C -0.304952 0.099927 1.765356
C -4.591291 -2.432752 -0.777882
C 0.967435 0.851078 1.359293
C 1.842351 0.214846 0.328561
C 1.297844 -0.443376 -0.782009
C 3.234907 0.314440 0.476250
C 2.141297 -1.019093 -1.737529
C 4.085002 -0.266678 -0.468078
C 3.523503 -0.928229 -1.562841
H -3.030895 -0.242187 -1.273592
H -2.998006 -0.569167 1.825208
H -2.086039 -1.568996 0.656121
H -1.051301 2.544394 0.951949
H -2.356236 1.945149 2.013548
H -3.476044 3.076013 0.115520
H -2.479632 2.156844 -1.087626
H -5.587622 -0.497660 -0.758016
H -5.159745 -1.091039 0.840568
H -0.564939 0.369684 2.813703
H -0.117556 -0.995628 1.758233
H -4.266657 -2.399012 -1.825026
H -3.844332 -3.005946 -0.217538
H -5.527698 -3.004141 -0.749145
H 0.211214 -0.494417 -0.911352
H 3.651088 0.855765 1.330019
H 1.717712 -1.527474 -2.604569
H 5.166993 -0.194626 -0.349495


%chk=000237079-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000237079

0 1
Br 4.621878 -0.712761 -3.262737
O -3.754957 1.234750 -0.389476
O 1.495070 0.985720 2.738342
N -1.337074 0.160158 0.777971
C -3.529844 -0.227648 -0.340346
C -2.628689 -0.575700 0.862210
C -1.571602 1.628236 0.718557
C -2.474912 1.954282 -0.479387
C -4.923271 -0.868763 -0.279401
C -0.420506 -0.220176 1.878806
C -4.904883 -2.406039 -0.427620
C 1.004436 0.354901 1.754691
C 1.820916 0.104939 0.521582
C 1.314874 -0.591147 -0.609730
C 3.168443 0.560781 0.507609
C 2.138664 -0.835338 -1.729164
C 4.000611 0.326273 -0.603008
C 3.472099 -0.374598 -1.710763
H -3.004104 -0.537274 -1.273796
H -3.181970 -0.329827 1.803803
H -2.414320 -1.660887 0.863545
H -0.602201 2.147760 0.602373
H -2.049285 1.998703 1.658822
H -2.737356 3.024836 -0.498299
H -1.954601 1.681384 -1.422910
H -5.524194 -0.419764 -1.092117
H -5.410048 -0.577627 0.671522
H -0.795882 0.098829 2.879879
H -0.341017 -1.326951 1.887282
H -4.401210 -2.711542 -1.364376
H -4.384221 -2.899036 0.413847
H -5.934358 -2.805101 -0.456817
H 0.264473 -0.897425 -0.618618
H 3.546139 1.093630 1.386503
H 1.749525 -1.369045 -2.600757
H 5.036977 0.675170 -0.609320


