%mem=115GB
%nprocshared=24
%chk=I1_f2_Bpin_thf_modre_TS.chk
#p opt=(calcfc,ts,noeigentest,maxstep=5) freq b3lyp/genecp scrf=(solvent=thf,pcm)
empiricaldispersion=gd3bj scf=xqc

I1_f2_Bpin_thf_modre_TS

0 1
 C                 -0.75643200   -0.69266600   -0.28026000
 H                  0.44452100   -1.08044900   -0.54289600
 I                 -1.97979600   -1.87097000   -1.72141500
 C                 -1.50836300    2.85975100   -1.41204800
 C                 -0.40532100    3.06272800   -0.31161200
 B                 -0.86137500    0.82660800   -0.56972900
 O                  0.12249900    1.71248400   -0.15161900
 O                 -1.89645200    1.47473000   -1.20165400
 C                 -0.98145600    3.48638700    1.04327700
 H                 -0.18482700    3.49134300    1.79179200
 H                 -1.40658400    4.49312100    0.99721500
 H                 -1.75558200    2.78919500    1.37746600
 C                  0.73384700    3.99084400   -0.71170600
 H                  0.35781900    5.00443900   -0.88796100
 H                  1.47261300    4.03940900    0.09464500
 H                  1.23580900    3.64496100   -1.61723500
 C                 -2.74046900    3.74281300   -1.25839800
 H                 -2.48431100    4.79101800   -1.44792300
 H                 -3.50990600    3.43143700   -1.96985800
 H                 -3.16893600    3.66757700   -0.25802900
 C                 -0.97043900    2.95459800   -2.84264700
 H                 -1.74728000    2.61134200   -3.53233900
 H                 -0.70722400    3.98427100   -3.10400400
 H                 -0.09055300    2.32064400   -2.98006800
 C                  2.23124200   -1.25052200   -2.32900700
 C                  1.75055500   -2.45769100   -3.17237200
 C                  2.25661300   -3.79115500   -2.62444200
 C                  1.83131000   -3.91802700   -1.16269300
 C                  2.32232500   -2.73233700   -0.29630800
 N                  1.98285400   -1.41496500   -0.87785900
 H                  1.85018200   -4.62409100   -3.21403400
 H                  0.65489700   -2.47371200   -3.15882400
 H                  0.73420400   -3.93593500   -1.12241400
 H                  2.05995900   -2.32294500   -4.21863000
 H                  3.34954600   -3.85701100   -2.71398600
 H                  2.18577800   -4.86555700   -0.73235900
 C                  1.44606800   -0.01511500   -2.80911800
 H                  1.71113200    0.87407100   -2.22682100
 H                  1.66246300    0.19570900   -3.86382700
 H                  0.36886000   -0.16992100   -2.71696300
 C                  3.71743600   -0.96803200   -2.68207100
 H                  3.82217000   -0.70696800   -3.74433400
 H                  4.08164400   -0.12709400   -2.08876200
 H                  4.37093100   -1.82206900   -2.49287400
 C                  1.61752600   -2.83954000    1.06815600
 H                  1.91717400   -3.75789100    1.58950700
 H                  1.86967000   -1.98754100    1.70662500
 H                  0.53146400   -2.86710800    0.95022500
 C                  3.84009600   -2.91601000   -0.00985200
 H                  4.21688600   -2.08835500    0.60389400
 H                  4.02294600   -3.84806600    0.54262300
 H                  4.44361900   -2.95244000   -0.91869200
 Li                 2.56543200    0.08543500    0.26346800
 C                  4.13240900    2.43818800   -0.83696800
 C                  5.57661800    0.75837400    0.01515100
 C                  5.45264600    2.51332900   -1.59766400
 H                  4.00526700    3.29184700   -0.15998000
 H                  3.25508600    2.36426200   -1.48281000
 C                  6.42704200    1.86965200   -0.60119800
 H                  5.64428600   -0.17524100   -0.55198400
 H                  5.82451400    0.55748500    1.05966300
 H                  5.39546300    1.91953400   -2.51614900
 H                  5.72058300    3.53903200   -1.86420300
 H                  7.33327700    1.48075600   -1.07254100
 H                  6.72172600    2.59523600    0.16509800
 O                  4.20618800    1.22772600   -0.04808300
 C                  3.67247800    0.25715200    3.01555000
 C                  1.75750600    1.47988500    2.73825500
 C                  4.10855700    1.72193000    3.23998400
 H                  4.38314200   -0.34803100    2.45056700
 H                  3.46489400   -0.24632500    3.96866300
 C                  2.84822300    2.54460000    2.86389800
 H                  1.31401700    1.24890400    3.71576900
 H                  0.96380000    1.68799300    2.02778800
 H                  4.40649200    1.88089800    4.27996100
 H                  4.95522200    1.99154300    2.60465200
 H                  2.59926600    3.30444400    3.60980900
 H                  2.99329400    3.04629600    1.90289000
 O                  2.45420900    0.31739100    2.25528300
 C                 -1.30843500   -0.81994800    3.45374100
 C                 -2.40811200   -1.81559300    2.93904400
 B                 -1.21191700   -1.00638900    1.16759400
 O                 -1.97614800   -2.07834500    1.57670500
 O                 -0.88797000   -0.17015300    2.22278700
 C                 -1.80892100    0.25486100    4.41269200
 H                 -0.97644400    0.90189600    4.70749100
 H                 -2.57686400    0.87888400    3.95025900
 H                 -2.22385900   -0.19799000    5.31964400
 C                 -3.79615700   -1.17498800    2.84419800
 H                 -4.45944500   -1.84289000    2.28676900
 H                 -4.22889400   -1.00236000    3.83472800
 H                 -3.75159000   -0.22131100    2.31145400
 C                 -2.48628700   -3.13957800    3.68962500
 H                 -2.73797300   -2.97251100    4.74262400
 H                 -3.26793600   -3.76598200    3.24827700
 H                 -1.54246800   -3.68630500    3.63783500
 C                 -0.09233800   -1.53388400    4.05030000
 H                 -0.33284200   -1.97142500    5.02454300
 H                  0.26735900   -2.32478400    3.38926500
 H                  0.71929000   -0.81470600    4.18318200
 C                 -5.16974900    0.73113800   -1.83968300
 C                 -5.90758100    2.42907200   -0.39342900
 C                 -5.29322200    0.14044800   -0.43125900
 H                 -4.12319700    0.75518900   -2.15826800
 H                 -5.75983800    0.18625100   -2.58581200
 C                 -5.15781100    1.39277000    0.44463400
 H                 -6.98890300    2.38929500   -0.18706600
 H                 -5.56607300    3.45649600   -0.22825900
 H                 -6.27750400   -0.32072300   -0.28574500
 H                 -4.52576300   -0.61151100   -0.23521300
 H                 -5.57838800    1.27629100    1.44783100
 H                 -4.10088300    1.66609200    0.53363400
 O                 -5.66310700    2.08619700   -1.76215000

C H O B Li N 
6-31G(d)
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