! 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    1.7191515240   1.8342725101  -1.8082827913
F    2.4139255974  -0.0101207780  -2.7383768387
O    0.9530230169  -0.9202749327   1.7417478967
N    0.5918604423  -0.8634513125  -0.4921672569
N    4.7673447193   0.3999909748   0.8711786868
N    4.5702576079   0.8832781088  -0.3474167079
C   -3.1775170391   0.9880418531   0.8792607310
C   -1.8016278481   0.3757347404   1.2265744270
C   -3.9195402947  -0.3640759891   0.9970210374
C   -2.1143872307  -0.2546009146   2.6065170971
C   -3.5707710043  -0.7561822502   2.4505332307
C   -1.7501145307  -0.7589722471   0.2392148090
C   -3.0648388747  -1.2229583558   0.1047153093
C   -3.2993040165   1.7237104188  -0.4522327968
C   -0.7343249100  -1.3401182391  -0.4985226099
C   -3.3831563609  -2.2660438611  -0.7392170531
C   -2.2800846826   2.8540891322  -0.5507520136
C   -4.7139395690   2.2662207830  -0.6287563117
C   -1.0545304899  -2.3886601098  -1.3690220150
C   -2.3564305196  -2.8441008388  -1.4867188164
C    1.3434728511  -0.6601654568   0.6119716484
C    2.6954993276  -0.1158918712   0.3991888656
C    3.3263268321   0.5812737239  -0.6575212354
C    3.6786134119  -0.1967070384   1.3640179345
C    2.8187010037   1.0505380398  -1.9687840642
C    6.0428001211   0.5555266443   1.5376070689
H   -3.4941893728   1.6727441594   1.6766370649
H   -0.9516689990   1.0540206096   1.2318276687
H   -4.9851573793  -0.3738856429   0.7718760283
H   -2.0409661234   0.5055755388   3.3858636934
H   -1.4144244864  -1.0481512881   2.8582843895
H   -3.6728572805  -1.8281214492   2.6216351529
H   -4.2425637005  -0.2518223631   3.1468146915
H   -3.1016046426   1.0228530157  -1.2703228507
H   -4.4030586193  -2.6146596666  -0.8434681212
H   -1.2541062702   2.4819337060  -0.5619518715
H   -2.4229345684   3.4310313193  -1.4663443641
H   -2.3716517728   3.5464523092   0.2902219062
H   -5.4633530711   1.4733673828  -0.6066599984
H   -4.9636277272   2.9774425974   0.1627873370
H   -4.8205357217   2.7868018870  -1.5821049935
H   -0.2714053630  -2.8422530258  -1.9646060703
H   -2.5746422475  -3.6516358584  -2.1732666381
H    1.0558164363  -0.8585605206  -1.3866520868
H    3.6659765374  -0.6424948586   2.3452942681
H    3.5756196137   1.6019883825  -2.5248209353
H    5.9263870829   1.1495182473   2.4407306025
H    6.4530629857  -0.4169611609   1.7975794813
H    6.7259095797   1.0617799127   0.8643217123
*