%mem=115GB
%nprocshared=24
%chk=Bpin_m2_m1_TS.chk
#p opt=(calcfc,ts,modredundant,maxstep=10,noeigentest) freq b3lyp/genecp scrf=(solvent=thf,pcm) empiricaldispersion=gd3bj scf=xqc

Bpin_m2_m1_TS

0 1
 C                 -1.36454300   -0.08446600    0.76306200
 I                 -3.11035800   -0.85698000    2.08193400
 C                 -1.31871700   -2.63353500   -1.96999200
 C                 -0.49902800   -3.43197700   -0.89819300
 B                 -0.85822600   -1.28684400   -0.16256000
 O                 -0.62499500   -2.58916700    0.27178700
 O                 -1.11047100   -1.26540400   -1.54571200
 C                  0.98834600   -3.54216700   -1.24942400
 H                  1.51875900   -3.97467400   -0.39748200
 H                  1.15160700   -4.19109100   -2.11595100
 H                  1.41902700   -2.55914600   -1.45600300
 C                 -1.05970600   -4.80971600   -0.56099800
 H                 -1.06172100   -5.45631300   -1.44575300
 H                 -0.43665300   -5.28371500    0.20465500
 H                 -2.07862000   -4.74070900   -0.17438000
 C                 -0.83473400   -2.79225300   -3.40681100
 H                 -0.93412900   -3.83309700   -3.73448800
 H                 -1.44329800   -2.16903500   -4.07059300
 H                  0.20832500   -2.49113700   -3.51879300
 C                 -2.82642300   -2.90114900   -1.88918000
 H                 -3.34877400   -2.16942700   -2.51251800
 H                 -3.07970800   -3.90475800   -2.24596800
 H                 -3.18755700   -2.78961200   -0.86233400
 C                  0.20424900    1.76028900    1.77916400
 C                 -0.47446300    2.19547000    3.08113900
 C                  0.08995300    1.39445800    4.25933000
 C                 -0.10965000   -0.10808300    4.03176100
 C                  0.40792300   -0.57083900    2.65933000
 C                 -0.00613900    0.27552100    1.43101200
 H                 -0.10515500    2.38171100    0.93806000
 H                 -0.32381800    3.27174100    3.24068600
 H                  1.16428800    1.61755700    4.35241300
 H                  0.40131400   -0.68142000    4.81763700
 H                  1.50492800   -0.51463100    2.67027900
 O                  0.77012400   -0.09089200    0.30727300
 H                  0.14702200   -1.61832100    2.48215500
 H                 -1.17469700   -0.33737800    4.12212500
 H                 -0.37945500    1.70004000    5.20351400
 H                 -1.55932100    2.03505000    3.00973100
 H                  1.28710600    1.89248100    1.89490900
 Li                 2.52672200    0.11707200   -0.10532500
 C                  4.95924100   -1.56284400   -0.00797800
 C                  3.23717100   -2.33792300    1.40374300
 C                  4.72957500   -3.02744200   -0.36056900
 H                  5.84170700   -1.43816300    0.63531200
 H                  5.04791000   -0.90100000   -0.87066500
 C                  4.05624900   -3.54709000    0.92001800
 H                  2.17933800   -2.39479900    1.14426000
 H                  3.32754600   -2.17839900    2.48288000
 H                  4.04611700   -3.09932100   -1.21360600
 H                  5.65448600   -3.55643300   -0.60635100
 H                  3.42969700   -4.42577500    0.74609100
 H                  4.81542400   -3.81826100    1.66125500
 C                  2.98241000    3.08325700   -0.01414000
 C                  4.18672600    1.87846900    1.63985100
 C                  3.20209400    3.99869100    1.19052600
 H                  1.93230500    2.96668600   -0.29121800
 H                  3.54989600    3.42471800   -0.88736100
 C                  4.43609200    3.36953200    1.85489100
 H                  5.09621900    1.27832700    1.56943200
 H                  3.54659700    1.45827000    2.42521900
 H                  3.35352000    5.04035000    0.89525800
 H                  2.34131000    3.95416300    1.86579500
 H                  5.35043900    3.68218300    1.33794700
 H                  4.53415400    3.62548700    2.91326300
 O                  3.77657900   -1.17789000    0.71464300
 O                  3.49094900    1.78446600    0.37539600
 C                  3.80998300    0.88530800   -2.70071000
 C                  1.67626200    0.00004400   -2.89136800
 C                  2.98456200    1.91005400   -3.51660800
 H                  4.46312200    0.28919300   -3.34972500
 H                  4.40749400    1.33264300   -1.90518400
 C                  1.52187900    1.45747300   -3.30963800
 H                  0.85318500   -0.38569600   -2.29353900
 H                  1.85074900   -0.65347000   -3.75894600
 H                  3.14788900    2.93442900   -3.17221400
 H                  3.26401800    1.86794500   -4.57344400
 H                  1.04246400    2.01101600   -2.49745400
 H                  0.91080300    1.57501300   -4.20877900
 O                  2.85742100    0.00778900   -2.06377700
 C                 -2.26377600    2.79437600   -1.57074300
 C                 -3.51454200    1.86017300   -1.68488400
 B                 -2.01710900    0.97513900   -0.20667500
 O                 -3.35443900    1.00219500   -0.52286800
 O                 -1.30238100    1.92832400   -0.90508300
 C                 -3.47386100    0.94928600   -2.91631200
 H                 -4.27376300    0.20742200   -2.82964000
 H                 -3.62842500    1.51577400   -3.84012600
 H                 -2.52250100    0.41410200   -2.97146500
 C                 -4.85995500    2.56864200   -1.58648900
 H                 -4.98168100    3.28015100   -2.41066000
 H                 -5.66821200    1.83328200   -1.65015300
 H                 -4.96318200    3.10652800   -0.64156900
 C                 -1.68276200    3.25338300   -2.90161100
 H                 -2.41615300    3.85347400   -3.45147200
 H                 -0.79844600    3.87462300   -2.72692000
 H                 -1.38714900    2.40654400   -3.52309800
 C                 -2.48767400    3.99470700   -0.64536600
 H                 -1.52516600    4.47897400   -0.45316000
 H                 -3.16013400    4.73086600   -1.09673600
 H                 -2.90833400    3.67903300    0.31436300

B 5 35 B 

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