! wb97x-d3
! def2-TZVPP
! def2/J RIJCOSX GRIDX6 NOFINALGRIDX
! grid4 nofinalgrid
! scfconv7
! smallprint printgap noloewdin
! NOSOSCF
%MaxCore 8000
%output
       print[P_BondOrder_M] 1
       print[P_Mayer] 1
       print[P_basis] 2
end
%pal
    nprocs 8
end
%cpcm
    smd    true
    smdsolvent "WATER"
end
*xyz 0 1
Si  -2.4435007192   0.2832763287  -0.1514313831
F    0.5822508071  -5.2297751202  -0.1239884940
O    0.3898002823   0.8132673430   1.6739940745
N    1.8984722380   2.3572345439  -0.2322239629
N    1.7520975530   3.0066245955  -1.3918308602
N    1.9026394979   4.4643188240   0.3065238441
C   -0.6876476149   0.9484351524  -0.4910280824
C    0.4794538637   0.3891461250   0.3306814167
C    1.8400667386   0.9168819358  -0.1582972533
C   -3.6116455619   1.5153597714  -0.9634143777
C   -2.8259976092   0.1974205080   1.6961017938
C   -2.7243978218  -1.4252312515  -0.8882738411
C    0.5284667047  -1.1310627007   0.2273907260
C    0.6126060578  -1.7425234687  -1.0233974966
C    0.4776277438  -1.9412785015   1.3555394107
C    0.6352803632  -3.1207143799  -1.1534388301
C    0.4910099581  -3.3265644787   1.2461430976
C    1.9772316503   3.2373602300   0.7654115813
C    0.5686614196  -3.8913899888  -0.0087551846
C    1.7648925435   4.2586497307  -1.0156334144
H   -0.7250368318   2.0357251170  -0.3609638727
H   -0.5022637837   0.7913129081  -1.5581850527
H    2.0639574450   0.5371159753  -1.1520846023
H    2.6276437527   0.5674311479   0.5109089148
H   -3.4164709364   1.6072977418  -2.0339242641
H   -3.5103436103   2.5111402488  -0.5270877858
H   -4.6540237847   1.2117470253  -0.8473631505
H   -3.8784730577  -0.0628508942   1.8317367734
H   -2.6751793562   1.1477167191   2.2141344526
H   -2.2536078155  -0.5744469150   2.2165473745
H   -2.1936226716  -2.2055091051  -0.3409172725
H   -2.4072607607  -1.4798545065  -1.9310542300
H   -3.7885070524  -1.6723210989  -0.8583055753
H   -0.5255147131   0.7655167559   1.9692471836
H    0.6471075943  -1.1447600731  -1.9257612815
H    0.4263735194  -1.5060224939   2.3436783542
H    0.6960789547  -3.5848644411  -2.1288090651
H    0.4450176475  -3.9505201998   2.1289630529
H    2.1076936590   2.9524192832   1.7960628895
H    1.6763129622   5.0613545524  -1.7307743550
*
