! 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    2.8999736745   2.3453061919  -2.9090062097
F    2.5433552211   0.2070739149  -3.1708926280
F   -1.3506482892   2.0844127623   2.6579008318
F   -3.9042282990   1.6521737170  -1.2206301590
F   -2.9433634379   3.1788523154   0.7824093297
O    0.2757224839  -0.7164565147  -1.3486370759
N    0.7838749504  -1.7930435826   0.5757782043
N    3.7054265346   1.2523662103   0.7941900133
N    3.5847518596   1.7367859086  -0.4382862333
C   -1.6178121019  -2.2454388057   0.5005398822
C   -0.2937689005  -2.6987695682   0.5308477893
C    2.0924324054   0.0889976292  -0.1012796468
C   -1.9564236862  -0.8091569223   0.5755590015
C    2.6152691512   1.0457534732  -0.9948744345
C    0.9834350077  -0.8302959693  -0.3590529942
C    2.8348044865   0.2721337344   1.0492085837
C   -2.6416829332  -3.1871168622   0.4212484394
C   -0.0236062499  -4.0622241390   0.5293422817
C   -2.7886056607  -0.2446069772  -0.3863342579
C   -1.4676193341  -0.0213447061   1.6148692428
C   -2.3704978892  -4.5463479967   0.4143591002
C    2.2108924298   1.2889237892  -2.4071836519
C   -1.0564440392  -4.9849599952   0.4840353386
C    4.6408221993   1.8457917714   1.7239433223
C   -1.8053373714   1.3130796285   1.6684353695
C   -3.1134067972   1.0918135385  -0.3035398161
C   -2.6257732090   1.8871335311   0.7155940941
H    1.5157139271  -1.9858547565   1.2425918611
H    2.7954967321  -0.2071377191   2.0144720646
H   -3.6691204283  -2.8467622004   0.3947044416
H    1.0051159581  -4.3985409695   0.5516017443
H   -3.1709151370  -0.8333716480  -1.2096978828
H   -0.8402644593  -0.4376979334   2.3910679971
H    1.1470083203   1.4799329440  -2.5295289507
H   -3.1841159684  -5.2573418147   0.3671143074
H   -0.8313426940  -6.0428764343   0.4866258540
H    4.1708320780   2.6539723985   2.2809592434
H    4.9905410191   1.0878179128   2.4186364028
H    5.4894454183   2.2370242230   1.1714723424
*