%mem=185GB
%nprocshared=36
%chk=C_O_1_TS_b1_opt.chk
#p opt freq b3lyp/genecp scrf=(solvent=thf,pcm) scf=xqc empiricaldispersion=gd3bj

C_O_1_TS_b1_opt

0 1
 C                 -1.83255500   -0.41692600    0.22127800
 I                 -3.93607600   -0.31090700   -0.50153000
 Si                -1.92804000   -0.88185300    2.06613700
 C                 -0.19377900   -0.87850000    2.84613100
 H                 -0.19428900   -0.24805400    3.74299400
 H                  0.12140500   -1.88558300    3.14506700
 H                  0.55090500   -0.47161900    2.15721700
 C                 -2.95371000    0.37488700    3.02400100
 H                 -3.98000100    0.46502500    2.65550600
 H                 -2.99496100    0.07269600    4.07819900
 H                 -2.47977300    1.35791100    2.96883600
 C                 -2.68873100   -2.58586000    2.38915600
 H                 -2.02211000   -3.40060500    2.08714500
 H                 -2.87877000   -2.69587900    3.46448800
 H                 -3.64307200   -2.71677500    1.86741700
 C                 -0.79030000    3.14213900    0.64308100
 C                 -0.83156900    3.08624900   -0.92064600
 B                 -0.88471100    0.91843300   -0.07507000
 O                 -1.29652400    1.77403500   -1.16736000
 O                 -0.44732300    1.80589700    0.99035900
 C                  0.56192100    3.25352600   -1.54161100
 H                  0.49905300    3.02232900   -2.61022100
 H                  0.94109900    4.27670000   -1.43659200
 H                  1.27949800    2.56336900   -1.08757000
 C                 -1.79069800    4.08304400   -1.56722800
 H                 -1.53502200    5.11372300   -1.29372900
 H                 -1.73175700    3.99783100   -2.65782500
 H                 -2.82358700    3.88521600   -1.27030400
 C                  0.25306400    4.10163400    1.20991000
 H                  0.05044900    5.12924300    0.88583100
 H                  0.22545200    4.08062900    2.30512600
 H                  1.26254100    3.82947900    0.89214900
 C                 -2.16002700    3.48200400    1.24243900
 H                 -2.11174900    3.37884800    2.33115500
 H                 -2.45751000    4.51165200    1.01583800
 H                 -2.92942000    2.80073700    0.86550900
 C                 -0.22662700   -2.49726800   -0.19857400
 C                 -1.09231000   -3.68677500   -0.61575600
 C                 -1.20787600   -3.75764700   -2.13773700
 C                 -1.81268800   -2.45898600   -2.67048900
 C                 -1.03374900   -1.23059300   -2.18870400
 C                 -0.77649700   -1.14852000   -0.67064800
 H                 -0.06282900   -2.49147600    0.88225000
 H                 -0.66520000   -4.61358700   -0.21257300
 H                 -0.20686200   -3.90767000   -2.56940800
 H                 -1.82916500   -2.46363700   -3.76735800
 H                 -0.03182100   -1.25857900   -2.64070200
 O                  0.19205000   -0.10775100   -0.43926500
 H                 -1.50550400   -0.30441800   -2.52832500
 H                 -2.85521200   -2.39320400   -2.34061600
 H                 -1.81935700   -4.61621400   -2.43946500
 H                 -2.09658100   -3.58497700   -0.18453400
 H                  0.76315600   -2.60607800   -0.65795700
 Li                 2.02485400   -0.01625400    0.01324800
 C                  4.14491200    1.38644600   -1.70293300
 C                  2.31450800    0.59610100   -2.90732700
 C                  3.87165800    2.44946600   -2.75949200
 H                  4.96082800    0.71495700   -2.00984200
 H                  4.36101400    1.78262700   -0.70911000
 C                  2.98451600    1.69068000   -3.76047900
 H                  1.24504800    0.74527800   -2.75210900
 H                  2.47595000   -0.40312400   -3.33023000
 H                  3.32381000    3.28388700   -2.31169100
 H                  4.78749000    2.83773400   -3.21182700
 H                  2.24857100    2.34344400   -4.23582500
 H                  3.59392000    1.24134100   -4.55016200
 C                  3.03067200   -2.71929200    1.13069400
 C                  3.45927200   -2.36836600   -1.16070200
 C                  3.03180200   -4.07930800    0.44320000
 H                  2.14208200   -2.52471100    1.73644600
 H                  3.92313200   -2.59310900    1.75731700
 C                  3.87697000   -3.79348400   -0.80272100
 H                  4.26088000   -1.77355500   -1.60509800
 H                  2.59901300   -2.35726700   -1.84149300
 H                  3.45107400   -4.86384200    1.07734600
 H                  2.01382600   -4.36868400    0.16197800
 H                  4.94300000   -3.82876400   -0.55422600
 H                  3.69128800   -4.49446400   -1.61973800
 O                  2.92568900    0.65983700   -1.61361900
 O                  3.06657500   -1.75247500    0.07456500
 C                  4.26128600    0.55904400    1.91501800
 C                  2.38904300    1.68751700    2.57225300
 C                  4.06760900    0.11999600    3.36961900
 H                  4.94721500    1.41577400    1.84731800
 H                  4.59981100   -0.23066200    1.24283600
 C                  2.84962500    0.95125800    3.83978200
 H                  1.31175800    1.70749400    2.40581700
 H                  2.77666400    2.71551000    2.55193600
 H                  3.84244400   -0.94886900    3.41781000
 H                  4.96329800    0.30186700    3.96865100
 H                  2.05967900    0.29910500    4.21931300
 H                  3.11133200    1.65829300    4.63107400
 O                  2.96540900    0.96276800    1.48127700

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