%nprocshared=12
%mem=23GB
%chk=T0_Theocat_m062xdef2tzvp_373tol.chk
#p opt=(ts,noeigentest,calcfc,maxcyc=500) scrf=(solvent=thf,read,smd) pop=(nbo,savenbos) geom=connectivity def2tzvp empiricaldispersion=gd3
int=grid=ultrafine rm062x scf=(save,xqc) nosymm

Title Card Required

0 1
 P                  1.84087500   -0.06478000    0.37730500
 C                  1.91820000    1.73153500    0.58440500
 C                  2.94425900    2.49026300    0.00866600
 C                  0.92246900    2.35423600    1.34089300
 C                  2.97029500    3.87039000    0.19182200
 C                  0.95339800    3.73675400    1.52163800
 C                  1.97493200    4.49230200    0.94856400
 O                  0.55542200   -0.62333300    0.98415900
 Si                -1.32232500   -0.77733900   -0.14036400
 H                 -0.66237000    0.44098300   -0.71106300
 C                  3.35776900   -0.83516200    1.04768500
 C                  2.15445900   -0.52517500   -1.37116700
 C                 -3.09250800   -0.26835600   -0.63124600
 C                 -4.23633800   -0.93272800   -0.15895700
 C                 -3.27919400    0.78868600   -1.53241600
 C                 -5.51328000   -0.56298900   -0.58013100
 C                 -4.55233400    1.16513800   -1.96468700
 C                 -5.67299100    0.48687000   -1.48684900
 H                 -4.11010000   -1.74501200    0.55993000
 H                 -2.40552700    1.33477400   -1.90414300
 H                 -6.39030800   -1.09085700   -0.19917400
 H                 -4.67191800    1.98945000   -2.67082000
 H                 -6.67210900    0.77911200   -1.81664100
 H                  1.38193700   -1.27586400   -1.60646700
 H                  2.02293600    0.32572600   -2.05268100
 C                  3.77423700   -1.83779800   -0.03703500
 C                  3.56376800   -1.13951400   -1.38699100
 H                  1.99673100    5.57415800    1.08985400
 H                  3.72577500    2.00910600   -0.58649600
 H                  0.12882700    1.74844500    1.78280700
 H                  4.81197600   -2.17093200    0.09873000
 H                  3.13055400   -2.73068600    0.01919700
 H                  4.32124800   -0.34868600   -1.50966200
 H                  4.12223400   -0.05392000    1.17968700
 H                  3.14584800   -1.28141100    2.02836800
 H                  3.76759800    4.46336800   -0.25866200
 H                  0.17547100    4.22500600    2.11056300
 H                  3.68220200   -1.83440800   -2.22941000
 O                 -0.73619100   -2.09950300   -1.02078300
 O                 -1.73750400   -1.68237300    1.23654400
 C                 -0.91732100   -3.29519600   -0.28508100
 C                 -1.05940500   -2.91706000    1.20028000
 H                 -1.83036900   -3.80959900   -0.63632700
 H                 -0.06372900   -3.97071700   -0.45391200
 H                 -1.64246800   -3.67546600    1.74567200
 H                 -0.06911200   -2.82286000    1.67523600

 1 2 1.0 8 2.0 11 1.0 12 1.0
 2 3 1.5 4 1.5
 3 5 1.5 29 1.0
 4 6 1.5 30 1.0
 5 7 1.5 36 1.0
 6 7 1.5 37 1.0
 7 28 1.0
 8
 9 10 1.0 13 1.0 39 1.5 40 1.5
 10
 11 26 1.0 34 1.0 35 1.0
 12 24 1.0 25 1.0 27 1.0
 13 14 1.5 15 1.5
 14 16 1.5 19 1.0
 15 17 1.5 20 1.0
 16 18 1.5 21 1.0
 17 18 1.5 22 1.0
 18 23 1.0
 19
 20
 21
 22
 23
 24
 25
 26 27 1.0 31 1.0 32 1.0
 27 33 1.0 38 1.0
 28
 29
 30
 31
 32
 33
 34
 35
 36
 37
 38
 39 41 1.0
 40 42 1.0
 41 42 1.0 43 1.0 44 1.0
 42 45 1.0 46 1.0
 43
 44
 45
 46

alpha=1.2

--Link1--
%nprocshared=12
%mem=23GB
%chk=T0_Theocat_m062xdef2tzvp_373tol.chk
#p freq=noraman scrf=(solvent=thf,read,smd) pop=(nbo,savenbos) geom=check guess=(read,save) def2tzvp empiricaldispersion=gd3
int=grid=ultrafine rm062x scf=(save,xqc) nosymm

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alpha=1.2


