%nprocshared=12
%mem=23GB
%chk=I0_Theocat_m062xdef2tzvp_373tol.chk
#p opt=maxcyc=500 scrf=(solvent=thf,read,smd) pop=(nbo,savenbos) geom=connectivity def2tzvp empiricaldispersion=gd3
int=grid=ultrafine rm062x scf=(save,xqc) nosymm

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0 1
 P                  1.77367500   -0.07414400    0.29489800
 C                  1.45374800    1.68994600    0.16132400
 C                  2.36945800    2.53632400   -0.47531000
 C                  0.28072500    2.20418800    0.72168500
 C                  2.10354800    3.90044600   -0.55385700
 C                  0.02195200    3.57144600    0.63691100
 C                  0.93044800    4.41599300    0.00088100
 O                  0.50073500   -0.81791100    0.80940900
 Si                -0.87022900   -1.23355400   -0.33105600
 H                 -0.22015400   -0.28214600   -1.36232900
 C                  3.15887300   -0.43740500    1.41424900
 C                  2.51379900   -0.81925600   -1.19922800
 C                 -2.42093300   -0.12036100   -0.18955900
 C                 -3.50750000   -0.41031200    0.65390000
 C                 -2.48574300    1.05958600   -0.94470300
 C                 -4.60460700    0.44704300    0.74233900
 C                 -3.57810900    1.92502000   -0.86382100
 C                 -4.64201800    1.61864500   -0.01607400
 H                 -3.47437400   -1.32719100    1.24400600
 H                 -1.65146500    1.30715000   -1.60826600
 H                 -5.43741900    0.20210700    1.40542600
 H                 -3.60010200    2.83795600   -1.46299500
 H                 -5.50035200    2.29033000    0.05221400
 H                  1.85397800   -1.66481400   -1.45538500
 H                  2.49877300   -0.12545800   -2.04968400
 C                  3.86464200   -1.61441500    0.72622200
 C                  3.91915800   -1.27831300   -0.76998400
 H                  0.72366300    5.48532100   -0.06608300
 H                  3.28773700    2.13855300   -0.91578800
 H                 -0.43313600    1.53502700    1.20619900
 H                  4.86404300   -1.78002400    1.14981900
 H                  3.28028700   -2.53525000    0.88205000
 H                  4.64540500   -0.46696500   -0.93399000
 H                  3.81165400    0.44868100    1.45484600
 H                  2.78745800   -0.64513500    2.42620900
 H                  2.81140400    4.56358500   -1.05278700
 H                 -0.89758300    3.97430600    1.06422000
 H                  4.24673700   -2.13684500   -1.37086500
 O                 -0.44372100   -2.55317700   -1.35574200
 O                 -1.46633500   -2.37778100    0.84396700
 C                 -0.75644800   -3.82159800   -0.83709900
 C                 -0.89561700   -3.63464900    0.67611900
 H                 -1.70839200   -4.18380400   -1.26819500
 H                  0.03085700   -4.54734500   -1.09907700
 H                 -1.52337000   -4.41925500    1.13080600
 H                  0.10473400   -3.68988700    1.15590800

 1 2 1.0 8 1.5 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 1.0
 9 10 1.0 13 1.0 39 1.0 40 1.0
 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=I0_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


