%mem=185GB
%nprocshared=36
%chk=Bpin_m2_m1_TS_IRC1_1.chk
#p opt freq b3lyp/genecp scrf=(solvent=thf,pcm) empiricaldispersion=gd3bj
scf=xqc

Bpin_m2_m1_TS_IRC1_1

0 1
 C                  0.09356400    0.43552800    0.16439300
 I                  4.72936300   -1.17625300    1.15197900
 C                  1.16802700    3.82918000   -1.08798600
 C                  2.33289000    3.46510600   -0.09971700
 B                  0.73524100    1.84350500   -0.08127100
 O                  2.05024600    2.06382600    0.19740100
 O                  0.10296000    2.90401800   -0.66929000
 C                  2.25734100    4.22252900    1.22721000
 H                  2.96354100    3.77688200    1.93448900
 H                  2.50803100    5.28112500    1.10335500
 H                  1.25345300    4.15487500    1.65933200
 C                  3.73372800    3.55159700   -0.68803500
 H                  3.94891200    4.57020200   -1.02536600
 H                  4.46748900    3.28064400    0.07647100
 H                  3.86286700    2.87259900   -1.52994800
 C                  0.65306800    5.25451300   -0.97436700
 H                  1.45835600    5.96663100   -1.19010900
 H                 -0.15197500    5.41510600   -1.69932900
 H                  0.26410000    5.46456900    0.02306300
 C                  1.49620700    3.47912700   -2.54475100
 H                  0.59147400    3.59338500   -3.14976400
 H                  2.26866300    4.13680600   -2.95140100
 H                  1.84725400    2.44415800   -2.63277700
 C                 -0.36044100   -1.37793500    1.99487700
 C                  0.96129200   -1.74536000    2.68196300
 C                  1.28434800   -0.77915600    3.83051100
 C                  1.28889000    0.67912000    3.34673500
 C                 -0.04708600    1.04421100    2.67301600
 C                 -0.32100000    0.06851300    1.55138500
 H                 -0.54869300   -2.02654900    1.14094300
 H                  0.90331800   -2.77727000    3.04844200
 H                  0.53370900   -0.89852400    4.62547800
 H                  1.47143600    1.36304500    4.18283800
 H                 -0.87126600    0.97868600    3.40034700
 O                 -1.33243400    0.46964400    0.60715100
 H                 -0.03706000    2.07443400    2.29971000
 H                  2.11021600    0.81542600    2.62990200
 H                  2.25789200   -1.02691700    4.26969900
 H                  1.77545500   -1.70627500    1.94484200
 H                 -1.19801500   -1.49477900    2.69753500
 Li                -3.05685700   -0.22782700    0.27365200
 C                 -5.50585500    0.73731500    1.37614900
 C                 -3.63027900    1.93335100    2.16604900
 C                 -5.71339000    2.19121900    0.97294400
 H                 -6.08682200    0.47288700    2.26948900
 H                 -5.71813400    0.01821000    0.58275700
 C                 -4.78472600    2.92757500    1.95415400
 H                 -2.73542600    2.17853900    1.59168700
 H                 -3.35303400    1.82728900    3.21883100
 H                 -5.38306900    2.33224200   -0.05991800
 H                 -6.75678500    2.50637800    1.05621400
 H                 -4.43014200    3.88418500    1.56095600
 H                 -5.30419900    3.12356600    2.89730000
 C                 -3.09385100   -3.11471900   -0.49912100
 C                 -4.09009600   -2.64277200    1.60781600
 C                 -2.70367900   -4.23193400    0.46315700
 H                 -2.24670700   -2.67495500   -1.02383100
 H                 -3.85624300   -3.44449900   -1.21609800
 C                 -3.81653900   -4.14976700    1.51887700
 H                 -5.14754400   -2.40629400    1.75184100
 H                 -3.51215900   -2.15964400    2.40188800
 H                 -2.64847300   -5.20793700   -0.02699100
 H                 -1.72852100   -4.01437900    0.90840800
 H                 -4.70916000   -4.68203800    1.17413600
 H                 -3.52226200   -4.56868700    2.48471600
 O                 -4.09647100    0.64531200    1.67715400
 O                 -3.66007500   -2.07860100    0.34065800
 C                 -3.93886300   -0.13108100   -2.51489300
 C                 -2.95526900    1.80390400   -1.78914300
 C                 -2.58464800   -0.12974500   -3.22369400
 H                 -4.71066600    0.35910300   -3.12402700
 H                 -4.30017100   -1.11046400   -2.19791700
 C                 -2.01569700    1.27678800   -2.89525700
 H                 -2.42618600    2.22869100   -0.93824900
 H                 -3.66681400    2.53799300   -2.18673100
 H                 -1.95109400   -0.90336900   -2.78217800
 H                 -2.67012000   -0.32038400   -4.29674700
 H                 -0.98278100    1.23536000   -2.53799000
 H                 -2.03321100    1.93663200   -3.76695300
 O                 -3.70899100    0.65335700   -1.32952000
 C                  0.75302500   -2.59849800   -2.00313900
 C                  1.65427400   -1.49473000   -2.67257800
 B                  0.48248000   -0.61555700   -0.92227100
 O                  1.56804900   -0.39729800   -1.70857600
 O                 -0.16534500   -1.79686200   -1.18021600
 C                  1.11090700   -0.96808900   -3.99952400
 H                  1.65413100   -0.05552200   -4.26139600
 H                  1.25663700   -1.69828900   -4.80129200
 H                  0.04751500   -0.72638100   -3.93556400
 C                  3.12070400   -1.88549600   -2.78859300
 H                  3.23070900   -2.82652400   -3.33715300
 H                  3.67809400   -1.11108400   -3.32486700
 H                  3.54466000   -1.99161500   -1.78853900
 C                 -0.07391900   -3.43768500   -2.96593900
 H                  0.58429600   -4.00723900   -3.63056400
 H                 -0.68318200   -4.15033100   -2.40073700
 H                 -0.73749800   -2.82350700   -3.57857300
 C                  1.53107200   -3.49138900   -1.03340600
 H                  0.82281600   -4.07262300   -0.43511000
 H                  2.17491600   -4.19107500   -1.57412400
 H                  2.16568200   -2.90181700   -0.36123100

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