! 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    4.7916782785   1.9824734283   0.1463821503
F   -1.7916669499  -2.0769716173   1.0745195951
F   -2.0804719653  -2.2429701212  -1.0797559204
O   -1.5585905651   2.3100028308  -0.8844370606
N   -0.5442022394   0.5354445494   0.0960349523
N   -5.1212276301   0.5339801249   0.1163903020
N   -4.7389075136  -0.7306007957   0.2145203591
C    4.0262923800  -0.9265604782   0.2191817664
C    2.9853216969  -2.0475738230   0.4632011269
C    1.6148477398  -1.5285712133  -0.0013491162
C    3.1387812830   0.2973297246   0.1510516507
C    1.7903061235  -0.0333170726   0.0861001381
C    5.0243504143  -0.8737144116   1.3758856087
C    4.7857363200  -1.1237236794  -1.0958122622
C    1.2484217761  -1.9583861737  -1.4223986080
C    0.8003830880   0.9499549921   0.0562151743
C    3.4924724348   1.6312032403   0.1220400000
C    1.1909902316   2.2887898190   0.0570940178
C    2.5371663851   2.6258654618   0.0744967449
C   -1.6265046734   1.2114082964  -0.3502510613
C   -2.9467384205   0.5914288034  -0.1270549383
C   -3.4289366432  -0.7233118059   0.0767049363
C   -4.0933883291   1.3598592963  -0.0949279994
C   -2.7450191835  -2.0367023559   0.0890719866
C   -6.5135291462   0.9053348118   0.2559574931
H    2.9380518568  -2.2596840647   1.5336507556
H    3.2655501486  -2.9786640182  -0.0332428459
H    0.8368010265  -1.8901266851   0.6761494861
H    5.8125360263  -0.1390652163   1.2129592483
H    4.5293926904  -0.6370277566   2.3189939595
H    5.5071646609  -1.8461987953   1.4920417928
H    5.4756903159  -0.2999818260  -1.2846537953
H    5.3734793895  -2.0430443284  -1.0587418545
H    4.1149895240  -1.1948238002  -1.9520191101
H    0.3267900831  -1.4892629559  -1.7635371974
H    1.1080741589  -3.0388581622  -1.4701454904
H    2.0307163922  -1.6922936714  -2.1333651375
H    0.4634394110   3.0835659831   0.0580112644
H    2.8340945507   3.6664180821   0.0676027811
H   -0.7041057794  -0.3416348257   0.5649803306
H   -4.2287045048   2.4245975849  -0.1926869825
H   -3.4392649571  -2.8590238857   0.2552473800
H   -6.6516087698   1.5292245770   1.1354983239
H   -6.8475217951   1.4470894287  -0.6251105252
H   -7.1035767397   0.0016239484   0.3628705739
*