%mem=125GB
%nprocshared=24
%chk=HICBpin_SiMe3_thf.chk
#p opt freq b3lyp/genecp scrf=(solvent=thf,pcm) empiricaldispersion=gd3bj
scf=xqc

HICBpin_SiMe3_thf

0 1
 C                  0.84249500    0.27053200   -0.70422200
 H                  1.41019717    0.44050678    0.21005904
 I                  1.09333542    2.17608381   -1.80365207
 Si                 1.62107418   -1.17237900   -1.67175690
 C                  0.36365130   -2.57550144   -1.58970449
 H                 -0.55589473   -2.31770308   -2.12210029
 H                  0.77377161   -3.47902944   -2.05122712
 H                  0.09965072   -2.81594869   -0.55598739
 C                  1.91947001   -0.67348928   -3.45548739
 H                  0.99588940   -0.30379950   -3.90743239
 H                  2.66960287    0.11794784   -3.52430282
 H                  2.27354267   -1.52954521   -4.03774387
 C                  3.22039338   -1.68998788   -0.83225100
 H                  3.04203664   -1.97353308    0.20916066
 H                  3.66115900   -2.55001429   -1.34535274
 H                  3.95256753   -0.87880092   -0.84219608
 C                 -2.59359700   -0.37368900    0.75769600
 C                 -2.93953400    0.18666800   -0.66954700
 B                 -0.67217500    0.09784100   -0.38048100
 O                 -1.64254000    0.11731600   -1.34765600
 O                 -1.17782500   -0.02980000    0.88607900
 C                 -3.34961100    1.65896800   -0.65827700
 H                 -3.37154900    2.02801900   -1.68518800
 H                 -4.34241900    1.78932400   -0.22339200
 H                 -2.64030500    2.26545000   -0.09246400
 C                 -3.94362100   -0.64125000   -1.45662800
 H                 -4.89927300   -0.68495300   -0.92818400
 H                 -4.11532100   -0.17990200   -2.43119500
 H                 -3.58621100   -1.65763600   -1.61670400
 C                 -3.35744700    0.27321300    1.90242500
 H                 -4.43101900    0.10400500    1.78779700
 H                 -3.04266500   -0.17117500    2.84862900
 H                 -3.17584900    1.34623400    1.95065900
 C                 -2.68114700   -1.89720200    0.84684800
 H                 -2.24168900   -2.22040900    1.79207400
 H                 -3.71824100   -2.23641600    0.81372300
 H                 -2.12975500   -2.37530900    0.03502500

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