%chk=000267078.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267078

0 1
Br 6.670109 1.946749 3.565799
P -1.555418 -0.469728 -0.661634
O -2.470478 -0.479388 -1.826787
O 0.522205 -0.036384 0.903740
N -2.122841 0.346053 0.764971
N -0.987025 -1.991748 -0.071771
N -0.081080 0.415293 -1.186306
N 2.076517 1.155919 -0.395930
C -2.798511 1.601519 0.632796
C -1.221592 -3.248069 -0.697924
C 0.859924 0.496593 -0.162268
C -2.553386 2.595590 1.603554
C -0.543790 -4.364606 -0.156207
C -3.738302 1.831632 -0.391425
C -2.087763 -3.415787 -1.795541
C 3.123244 1.315079 0.569140
C -3.251072 3.802730 1.545733
C -0.741079 -5.627321 -0.713344
C -4.417839 3.048579 -0.432901
C -2.266141 -4.689572 -2.335040
C -4.180541 4.037382 0.528646
C -1.599168 -5.798433 -1.803766
C 4.275441 2.015940 0.152899
C 3.030558 0.804835 1.875402
C 5.328302 2.201113 1.048657
C 4.089156 0.995222 2.764137
C 5.227336 1.690036 2.345941
H -1.544764 0.264999 1.630448
H -0.343893 -2.010898 0.746767
H 0.036901 0.786824 -2.133098
H -1.832468 2.425105 2.398939
H 0.125592 -4.246923 0.691185
H -3.951955 1.068583 -1.148735
H -2.631610 -2.571811 -2.235489
H 2.244606 1.566633 -1.317541
H -3.065677 4.567050 2.299958
H -0.219536 -6.486800 -0.292627
H -5.146656 3.226015 -1.224396
H -2.938857 -4.817655 -3.183895
H -4.719223 4.980187 0.486404
H -1.748512 -6.784477 -2.233780
H 4.356314 2.414699 -0.856229
H 2.135884 0.260289 2.199914
H 6.221904 2.742871 0.730674
H 4.018989 0.599081 3.780127


%chk=000267078-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000267078

0 1
Br 7.359734 2.343341 3.302034
P -1.175923 -0.478706 -1.118436
O -1.773165 -0.282345 -2.583103
O 1.270725 -0.515316 0.836741
N -2.192667 0.057160 0.185821
N -0.667998 -2.027901 -0.551434
N 0.331960 0.483984 -1.054326
N 2.211012 1.461534 -0.048403
C -2.897495 1.291747 0.272028
C -1.311039 -3.275259 -0.781610
C 1.282904 0.423584 -0.025791
C -3.326777 1.745578 1.547914
C -0.801230 -4.425487 -0.120961
C -3.182147 2.069244 -0.882784
C -2.434674 -3.399212 -1.641929
C 3.377888 1.611559 0.756132
C -4.033437 2.961031 1.665375
C -1.413553 -5.681166 -0.316642
C -3.874490 3.291417 -0.746196
C -3.037947 -4.661792 -1.822520
C -4.305290 3.747025 0.521497
C -2.537844 -5.809519 -1.164796
C 4.192761 2.748001 0.506963
C 3.749223 0.692398 1.772192
C 5.365896 2.970422 1.254967
C 4.927242 0.913426 2.517721
C 5.725135 2.045141 2.256659
H -2.189217 -0.544449 1.013401
H 0.178105 -1.991665 0.039902
H 0.485349 1.058079 -1.888509
H -3.103410 1.151262 2.442733
H 0.068535 -4.333036 0.540855
H -2.897716 1.696215 -1.872577
H -2.814568 -2.525028 -2.181724
H 2.028399 2.229260 -0.698189
H -4.364132 3.296576 2.654773
H -1.009695 -6.560440 0.198066
H -4.094638 3.881666 -1.643072
H -3.902876 -4.746723 -2.490064
H -4.850441 4.691884 0.616117
H -3.011428 -6.785413 -1.313721
H 3.917017 3.466132 -0.275534
H 3.116645 -0.173309 1.973796
H 5.986696 3.848265 1.056167
H 5.212375 0.203835 3.299665


