! 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
F    4.8107749500   1.8940958104   0.2882820817
F   -1.9821862567  -1.5346980826   1.9170112002
F   -1.7981836950  -2.3141352696  -0.1088323752
O   -1.6299484225   2.5440163714  -0.0450114565
N   -0.5438225687   0.5482803805  -0.0206150392
N   -5.1186043454   0.4189195421  -0.3193143962
N   -4.7203519029  -0.7653762513   0.1235901410
C    4.0009454104  -0.9772575566  -0.0801179967
C    2.9510214905  -2.1096180643   0.0287005664
C    1.5759047821  -1.5186051397  -0.3271820441
C    3.1297451832   0.2530785770   0.0427894115
C    1.7769509697  -0.0463146914  -0.0595000921
C    5.0269512249  -1.0967405202   1.0466526139
C    4.7259363488  -0.9941170252  -1.4291392643
C    1.1579668545  -1.7937004746  -1.7730520643
C    0.7997755305   0.9471440891   0.0558937891
C    3.5060532237   1.5687148754   0.2227686533
C    1.2145133489   2.2624929185   0.2729968784
C    2.5661358512   2.5688766020   0.3467400621
C   -1.6569707467   1.3205613145  -0.0371466444
C   -2.9554303670   0.6243408937  -0.0593485426
C   -3.4171570812  -0.6683327929   0.2846663419
C   -4.1093592316   1.2836381663  -0.4371791734
C   -2.7072849875  -1.8568808670   0.8126363484
C   -6.5134181874   0.6567973696  -0.6147657567
H    2.9244435100  -2.4712892185   1.0587323219
H    3.2075247837  -2.9639019726  -0.6007990157
H    0.8185503841  -1.9442749194   0.3381618671
H    5.8149746761  -0.3483941786   0.9717510548
H    4.5561509033  -0.9980041353   2.0259607161
H    5.5061314408  -2.0769290682   1.0078708190
H    4.0333952000  -0.9422838111  -2.2695385903
H    5.4178381357  -0.1554253464  -1.5192350495
H    5.3065920861  -1.9126399186  -1.5348835656
H    1.0276391557  -2.8644566327  -1.9327547999
H    1.9097924129  -1.4403537685  -2.4791081524
H    0.2173301173  -1.3091748300  -2.0390733225
H    0.5033250940   3.0621666569   0.3854358606
H    2.8770611732   3.5930867661   0.5063071907
H   -0.6811366440  -0.4415984032  -0.1370500523
H   -4.2595182411   2.2925799845  -0.7840817520
H   -3.3879427601  -2.6725180619   1.0522007668
H   -6.8428421341   0.0145851855  -1.4277395153
H   -7.1194280295   0.4646017802   0.2667697462
H   -6.6361779831   1.6939226532  -0.9095544249
*