! 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  -5.2819851885   1.1984808314   0.6626107406
F   -0.2514055193  -0.8765051998  -2.0073285679
F   -1.0515086034  -2.6842527935  -1.1585139187
F   -2.2423880507  -1.5107883540  -2.5036884451
O    2.2977534392   1.4873399249  -0.3256689732
N    2.4547609119  -1.0243597760   0.8693733518
N    0.1894593820  -0.9846428746   0.8216105302
N    4.5828596375  -1.4910527036   1.2182883231
C    1.2579418605  -0.3090489736   0.7966950172
C    1.3836675827   1.1864176208   0.6923760746
C    2.5988249686   2.8700783906  -0.3879031438
C   -1.0696954472  -0.4029593714   0.7604051534
C    3.6798550129   3.1040009432  -1.4201763493
C   -1.8963052214  -0.6417197478  -0.3438743848
C   -1.5725339982   0.3373820485   1.8267018177
C   -3.1895324947  -0.1418378139  -0.3754505406
C    2.5894013417  -2.3885877051   0.7026295466
C    4.0051073914   4.5849295964  -1.5432683782
C    3.6978405966  -0.5441142102   1.1783470467
C   -1.3630632995  -1.4290154940  -1.5013849907
C   -2.8634813459   0.8344397186   1.8021919877
C   -3.6641593563   0.5894818903   0.7000413715
C    3.9008768700  -2.6475403958   0.9134777495
H    1.7082899876   1.5814039675   1.6664071881
H    0.3990429461   1.6217987827   0.4909955420
H    2.9355312514   3.2267309052   0.5952216521
H    1.6967100087   3.4420013044  -0.6434117533
H    4.5778295229   2.5488157217  -1.1377958655
H    3.3538308121   2.7154965130  -2.3882089183
H   -0.9505709086   0.5125538862   2.6947399662
H   -3.8317927886  -0.3157875287  -1.2271498430
H    1.7606710481  -3.0208028925   0.4379193892
H    4.7986163550   4.7528121179  -2.2709492007
H    3.1354158106   5.1586149727  -1.8675419055
H    4.3396771908   5.0013477994  -0.5916071502
H    3.8952458391   0.4931486857   1.3893511548
H   -3.2348658080   1.4067332865   2.6409723084
H    4.3986886318  -3.6020652093   0.8597321397
*