%mem=185GB
%nprocshared=36
%chk=Bpin_m2_m_TS.chk
#p opt=(calcfc,ts,modredundant,noeigentest) freq b3lyp/genecp scrf=(solvent=thf,pcm) empiricaldispersion=gd3bj scf=xqc

Bpin_m2_m_TS

0 1
 C                 -1.51968300    0.15901200   -0.85026900
 I                 -2.86620500    1.43405000   -2.05694500
 C                 -0.87679900    2.40912900    2.17047800
 C                 -0.10441300    3.31872800    1.14982600
 B                 -0.27539700    1.14816900    0.33146300
 O                 -0.08805400    2.51383400   -0.03795600
 O                 -0.51819000    1.08857300    1.73149900
 C                  1.34833400    3.57243200    1.57631000
 H                  1.87064300    4.08941800    0.76592200
 H                  1.40885200    4.19996100    2.47192400
 H                  1.86778100    2.62929500    1.76837200
 C                 -0.78635800    4.64886800    0.83526700
 H                 -0.89050600    5.26308300    1.73732400
 H                 -0.18253300    5.20841400    0.11245000
 H                 -1.77561500    4.49285600    0.39983600
 C                 -0.44924000    2.56713300    3.62772000
 H                 -0.62518600    3.59000900    3.97964400
 H                 -1.03365900    1.88774000    4.25785500
 H                  0.60849800    2.32803000    3.76196800
 C                 -2.39811600    2.56833200    2.05515000
 H                 -2.88480200    1.80204100    2.66269700
 H                 -2.72688900    3.54970500    2.41327500
 H                 -2.72748800    2.44090100    1.02065700
 C                  0.10619300   -1.74970100   -1.62846600
 C                 -0.53699600   -2.25390600   -2.92147600
 C                  0.06330800   -1.52436700   -4.12828400
 C                 -0.12274200   -0.00981300   -3.98383100
 C                  0.38583700    0.51706700   -2.63215200
 C                 -0.13769500   -0.25029500   -1.40455500
 H                 -0.24414800   -2.30891100   -0.76200800
 H                 -0.39356500   -3.33831300   -3.01352800
 H                  1.13625800   -1.76392700   -4.18839300
 H                  0.39796100    0.51940000   -4.79274800
 H                  1.47852200    0.41529400   -2.60317000
 O                  0.65584400    0.16425900   -0.23659400
 H                  0.16448500    1.58204900   -2.52061100
 H                 -1.18608600    0.22556200   -4.09122100
 H                 -0.39150900   -1.87301600   -5.06420900
 H                 -1.62158000   -2.07916000   -2.88220100
 H                  1.19051200   -1.88734000   -1.69902300
 Li                 2.37703500   -0.31395700    0.36426100
 C                  4.81677600    1.44039800    0.60314400
 C                  3.30053600    2.17628000   -1.03441300
 C                  4.90849000    2.96276100    0.61021300
 H                  5.63522600    0.99114500    0.02081500
 H                  4.78799900    0.98182800    1.59350600
 C                  4.28645400    3.32937200   -0.75141300
 H                  2.25065600    2.45151800   -0.93331100
 H                  3.46261000    1.73748200   -2.02544500
 H                  4.30732800    3.36470500    1.43139700
 H                  5.93476300    3.32331500    0.72151800
 H                  3.78397700    4.30004200   -0.73041100
 H                  5.05977900    3.37104900   -1.52492900
 C                  3.18379200   -3.17910100   -0.49894600
 C                  4.07829100   -1.40449200   -1.79789400
 C                  3.41432000   -3.69309000   -1.91767600
 H                  2.17115900   -3.34491300   -0.12386500
 H                  3.90301400   -3.61546800    0.20452500
 C                  4.49857900   -2.73226300   -2.42775400
 H                  4.91362800   -0.74316200   -1.55915400
 H                  3.36821800   -0.86269800   -2.43274300
 H                  3.72291000   -4.74162900   -1.93327700
 H                  2.50155400   -3.59265200   -2.51460400
 H                  5.48313700   -3.03789300   -2.05677600
 H                  4.54533300   -2.67426800   -3.51834100
 O                  3.56010800    1.16723100   -0.02956900
 O                  3.40703400   -1.75076300   -0.56062000
 C                  3.60961200   -1.70636100    2.67144700
 C                  1.49590900   -0.91425700    3.12691400
 C                  2.78697300   -2.94370400    3.10642100
 H                  4.20776900   -1.31455000    3.50361700
 H                  4.26068200   -1.87717200    1.81355600
 C                  1.32561900   -2.43069400    3.12163700
 H                  0.66999500   -0.34379800    2.70487300
 H                  1.72717200   -0.54077600    4.13562000
 H                  2.91329300   -3.78017600    2.41488700
 H                  3.10305500   -3.28301900    4.09694700
 H                  0.79236400   -2.73065300    2.21432000
 H                  0.75695900   -2.79249300    3.98262100
 O                  2.64890500   -0.70403000    2.28171800
 C                 -2.80272900   -2.66359300    1.27592800
 C                 -3.97549800   -1.63221000    1.38287700
 B                 -2.31782000   -0.79544400    0.03571600
 O                 -3.67709700   -0.71802000    0.29803200
 O                 -1.73334700   -1.84474200    0.74996600
 C                 -3.93223600   -0.82940900    2.68640500
 H                 -4.62952100    0.01032600    2.60940700
 H                 -4.22175600   -1.44204100    3.54639400
 H                 -2.93015000   -0.42770700    2.85769200
 C                 -5.36815200   -2.21174100    1.16233900
 H                 -5.59562300   -2.97196700    1.91797700
 H                 -6.11613200   -1.41655100    1.24513000
 H                 -5.46115300   -2.66373100    0.17229000
 C                 -2.35451500   -3.27316300    2.59957700
 H                 -3.17586700   -3.82560400    3.06941300
 H                 -1.53125700   -3.97325300    2.42450700
 H                 -2.00467700   -2.50647800    3.29405200
 C                 -3.07052300   -3.76980800    0.24794300
 H                 -2.14304300   -4.32442000    0.07370100
 H                 -3.83247700   -4.47321700    0.59868200
 H                 -3.39862500   -3.34661600   -0.70663200

B 1 5 B 

C H O B Li 
6-31G(d)
****
I
Lanl2dz
****

I
Lanl2dz




























