%chk=000245964.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245964

0 1
Br 3.633165 -2.942456 -1.563631
O 3.058216 2.605105 0.692792
O 0.535446 2.271518 0.722635
C 1.948386 0.574588 -0.051036
C 3.101879 1.362160 0.191479
C -3.067620 0.084904 0.056119
C 0.619992 1.129845 0.253909
C 2.131839 -0.722000 -0.579729
C -1.813039 0.817532 0.277057
C -0.592403 0.328934 -0.000244
C 4.406031 0.869480 -0.089366
C 3.405159 -1.192238 -0.849557
C 4.551955 -0.400422 -0.606713
C -3.229374 -0.774213 -1.043562
C -4.130183 0.260033 0.961487
C -4.436615 -1.452694 -1.230939
C -5.330261 -0.427967 0.773648
C -5.485927 -1.283922 -0.322546
H 1.252761 -1.347131 -0.771254
H -1.919548 1.826050 0.707715
H -0.446275 -0.671761 -0.410662
H 5.261057 1.514248 0.114067
H 5.546777 -0.796833 -0.829050
H -2.417518 -0.904146 -1.758363
H -4.015229 0.927367 1.815341
H -4.558846 -2.114941 -2.087269
H -6.148228 -0.295838 1.481014
H -6.424776 -1.816516 -0.468493
H 2.075080 2.928314 0.887051


%chk=000245964-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245964

0 1
Br 3.861434 -2.636302 -2.225880
O 2.987599 2.482024 1.077283
O 0.539446 2.057514 1.067048
C 2.008004 0.528481 -0.051323
C 3.140900 1.337986 0.341561
C -3.080463 -0.014687 0.127053
C 0.656443 0.963074 0.362729
C 2.249255 -0.651742 -0.817961
C -1.789185 0.620262 0.401356
C -0.545929 0.200479 -0.003387
C 4.455380 0.952398 -0.036929
C 3.553381 -1.005544 -1.173912
C 4.666411 -0.211171 -0.790073
C -3.221439 -1.205613 -0.647200
C -4.257962 0.588179 0.660564
C -4.491406 -1.767005 -0.875102
C -5.529979 0.025289 0.432851
C -5.651534 -1.155257 -0.336555
H 1.418452 -1.287740 -1.131461
H -1.811056 1.540909 1.003071
H -0.427515 -0.705769 -0.603419
H 5.290337 1.585484 0.274960
H 5.679791 -0.504206 -1.079468
H -2.336562 -1.692316 -1.071776
H -4.163131 1.503730 1.257030
H -4.584660 -2.681000 -1.471675
H -6.422438 0.502625 0.851256
H -6.638093 -1.596128 -0.516718
H 1.956417 2.583049 1.247978


