%mem=115GB
%nprocshared=24
%chk=HICBpin_Bpin_thf.chk
#p opt freq b3lyp/genecp scrf=(solvent=thf,pcm) empiricaldispersion=gd3bj
scf=xqc

HICBpin_Bpin_thf

0 1
 C                  0.86652800    0.00633600   -0.86865800
 H                  0.96770100   -0.13409200   -1.94478300
 I                  1.68207200   -1.87316600   -0.00684000
 C                 -2.91560500    0.11350800   -0.61773700
 C                 -2.47759300    0.22864400    0.88714500
 B                 -0.64879400    0.06106000   -0.45101200
 O                 -1.05215600    0.53208300    0.76909000
 O                 -1.67662600   -0.31587100   -1.26904100
 C                 -2.57546900   -1.09522900    1.64904200
 H                 -2.06974400   -0.98788900    2.61305100
 H                 -3.61761000   -1.37253200    1.83357600
 H                 -2.08949400   -1.90671000    1.09873900
 C                 -3.15021700    1.34860600    1.66964100
 H                 -4.23316700    1.19043100    1.70972500
 H                 -2.77025700    1.36006200    2.69584200
 H                 -2.95588300    2.32548600    1.22193200
 C                 -3.99511200   -0.92415600   -0.89574200
 H                 -4.91590200   -0.67089200   -0.35946300
 H                 -4.22022400   -0.94402800   -1.96651700
 H                 -3.67868500   -1.92471900   -0.59400200
 C                 -3.28828700    1.45957100   -1.24372600
 H                 -3.38042600    1.33492100   -2.32666400
 H                 -4.24263400    1.82843800   -0.85606900
 H                 -2.51840900    2.21315600   -1.05082200
 C                  2.86014300    2.72180500    0.88199900
 C                  2.21257100    3.47194400   -0.30712700
 B                  1.63725200    1.27554400   -0.36557000
 O                  1.56767600    2.44206400   -1.08394500
 O                  2.34556500    1.37807400    0.79660100
 C                  1.14534937    4.48487229    0.14742142
 H                  1.60596650    5.43518836    0.31955865
 H                  0.39942187    4.58265860   -0.61345308
 H                  0.68914890    4.14055742    1.05198121
 C                  3.24388034    4.19647040   -1.19203521
 H                  2.74819179    4.63029852   -2.03523508
 H                  3.72233698    4.96695181   -0.62428734
 H                  3.97767107    3.49556532   -1.53142177
 C                  2.47284600    3.31975869    2.24730205
 H                  2.94264046    2.75926164    3.02835021
 H                  2.79637788    4.33854915    2.29518855
 H                  1.41042377    3.27692643    2.36698663
 C                  4.39566574    2.66606190    0.77873909
 H                  4.79620231    3.65277532    0.88298444
 H                  4.78287085    2.04006444    1.55533382
 H                  4.67481280    2.26661535   -0.17384654

C H O B 
6-31G(d)
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