! 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
Cl  -4.9941632481   1.6536800769   0.4119292025
F   -2.6651507504  -2.7507610753  -0.8915156030
F   -0.6607422137  -2.1579547137  -1.3822460013
F   -1.1011468835  -2.9622943450   0.5626977065
O    2.2489401311   1.3733241493  -1.5505481145
N    2.6428600881  -0.8955617822   0.2300815958
N    0.4685114117  -0.5411266953   0.7858448032
N    4.1959555185  -1.9709411376   1.3735814932
C    1.3911239176  -0.3444663999  -0.0571814823
C    1.2657625946   0.3956234836  -1.3725997130
C    2.1194345579   2.4910421739  -0.6881411661
C   -0.8087524956  -0.0106633252   0.6329936254
C    3.2191508365   3.4800765190  -1.0068015317
C   -1.8531788048  -0.7784812391   0.1047754911
C   -1.0895139709   1.2713760428   1.0982142938
C   -3.1401309669  -0.2623438356   0.0361412018
C    3.7590577104  -0.9620561665  -0.5849692843
C    3.1409821192   4.7070878376  -0.1122179527
C    2.9790348070  -1.5259542806   1.3978697479
C   -1.5743743015  -2.1614554638  -0.3975460887
C   -2.3696920249   1.7903099333   1.0293680962
C   -3.3885792961   1.0176332109   0.4977565628
C    4.6918249872  -1.6256580899   0.1368317475
H    0.2587736004   0.8195072238  -1.4457979958
H    1.3695521053  -0.3251324951  -2.1878988963
H    2.1923071420   2.1846354937   0.3648722034
H    1.1343632614   2.9579704415  -0.8214841418
H    4.1895411741   2.9930012010  -0.8822163164
H    3.1444451351   3.7806689085  -2.0548514082
H   -0.2950801838   1.8686588254   1.5254234806
H   -3.9504423990  -0.8471425064  -0.3754554751
H    3.7998157324  -0.5531693079  -1.5774414995
H    3.2365861297   4.4414113565   0.9417880843
H    3.9400901362   5.4098895035  -0.3467190626
H    2.1937223697   5.2343648530  -0.2364998777
H    2.2887942719  -1.6172840121   2.2192231099
H   -2.5638462888   2.7907617857   1.3905107323
H    5.6965164691  -1.8751025919  -0.1632626883
*