! 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    3.4624506272   2.7106848331  -0.0107750158
F   -5.4365153374   0.1838640169   1.2097407230
F   -3.7899615894  -0.2345577584   2.5872767782
O   -1.9552133666  -2.4324914769   1.4968282134
N    0.0405824260  -1.4474196795   1.2010138767
N   -2.5176620814   0.9565639937  -1.3349573582
N   -3.6220779604   0.7837392693  -0.6154647314
C    4.0454540670  -0.0428682514  -1.0897006399
C    3.8700708840  -1.5803244543  -1.0157940017
C    2.4124216487  -1.8713472655  -0.6185003650
C    2.9095200544   0.4279899396  -0.2071113946
C    2.0166500906  -0.5990735380   0.0826788547
C    5.4238110035   0.3608753153  -0.5678997808
C    3.8672714341   0.4851012995  -2.5169600765
C    1.4968228709  -2.1632556054  -1.8079146187
C    0.9049988101  -0.3767839568   0.8842172998
C    2.6396630497   1.6891296183   0.2839817375
C    0.6847217763   0.8963989955   1.4013695990
C    1.5409429958   1.9391464388   1.0868942717
C   -1.2960049739  -1.5152297296   1.0174622269
C   -1.9522826891  -0.4821832787   0.2042227864
C   -3.3004174791  -0.0869258051   0.3148667771
C   -1.4906283909   0.2274501104  -0.8866948960
C   -4.2844136333  -0.5183648607   1.3456481902
C   -2.5309710871   1.7972470140  -2.5116697880
H    4.5319720205  -1.9729222654  -0.2403663453
H    4.1533906954  -2.0673631579  -1.9509550366
H    2.3672556935  -2.7274777882   0.0599665428
H    6.2000366685  -0.1571803319  -1.1346262797
H    5.6086562533   1.4300149325  -0.6684827149
H    5.5471538754   0.0916500543   0.4822532769
H    3.9320539360   1.5737009823  -2.5492924916
H    4.6489564173   0.0885387411  -3.1678358608
H    2.9057102759   0.1993355742  -2.9437991521
H    1.8303888574  -3.0595159844  -2.3324470048
H    1.4920098985  -1.3426987155  -2.5261315483
H    0.4670154043  -2.3354407174  -1.4925493947
H   -0.1609672668   1.0792241939   2.0509218358
H    1.3651852953   2.9328332963   1.4771664565
H    0.4577571422  -2.2600018500   1.6369186668
H   -0.5321760181   0.2494434823  -1.3786106983
H   -4.5207545415  -1.5803087270   1.3097303411
H   -3.3422552962   2.5125507255  -2.4229384502
H   -1.5912563079   2.3369529572  -2.5875238278
H   -2.6756532044   1.2006041071  -3.4102265887
*