! 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    4.9041214418   1.8222746168  -0.2584128971
F   -3.3676070803  -0.2098283164  -2.8406575827
F   -4.1878204742   1.6623589653  -2.0717431571
O   -1.3416159119   1.2869264682  -1.2713879082
N   -0.3470162781   0.3028402906   0.5138493795
N   -4.2594571851  -0.9825276035   1.3247732616
N   -4.8242147982  -0.6969546340   0.1589460089
C    4.2783675340  -0.9801583132   0.6592155959
C    3.3163114908  -1.9997277699   1.3187265478
C    1.8819272955  -1.6497560885   0.8855952135
C    3.3391890366   0.1679535536   0.3591144941
C    2.0063253291  -0.1957934259   0.5100276271
C    5.3997140298  -0.6054392108   1.6274015633
C    4.8858182197  -1.5248104688  -0.6370609832
C    1.3637134941  -2.4916967905  -0.2801358750
C    0.9769564953   0.7133712182   0.2825487572
C    3.6251461697   1.4489841156  -0.0679380686
C    1.2987735791   2.0088236643  -0.1153692471
C    2.6244219720   2.3724145666  -0.3026338139
C   -1.4153604896   0.5877173355  -0.2747729801
C   -2.6827659145  -0.0091028541   0.1652853254
C   -3.8912194300  -0.1068435800  -0.5579035288
C   -2.9834878952  -0.5904329247   1.3820019683
C   -4.2431266668   0.3094146226  -1.9385987419
C   -5.0306411696  -1.5746361531   2.3959760876
H    3.3901238319  -1.9037981458   2.4041968143
H    3.5850067481  -3.0288940218   1.0724282152
H    1.1983622050  -1.7865453751   1.7298296006
H    6.1319750073   0.0632403067   1.1755174085
H    5.0073670248  -0.1230228846   2.5239860087
H    5.9326707325  -1.5045953408   1.9431144685
H    4.1214472007  -1.8274436883  -1.3533624307
H    5.5178829576  -0.7801863722  -1.1236280979
H    5.5072999889  -2.3976225173  -0.4273548092
H    2.0063146985  -2.4052746795  -1.1565933321
H    0.3586572482  -2.1920484896  -0.5801673094
H    1.3205196187  -3.5449488405  -0.0002367930
H    0.5285107706   2.7500485659  -0.2666919717
H    2.8741482994   3.3775371514  -0.6160941611
H   -0.4639899731  -0.4037600573   1.2230640232
H   -2.3966472616  -0.7337846435   2.2756639600
H   -5.2483072458  -0.0199699957  -2.2029379665
H   -5.8649781750  -2.1206756638   1.9691112856
H   -4.4059563522  -2.2641807002   2.9551911650
H   -5.4086471834  -0.8068388824   3.0668785297
*