! 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 "1-OCTANOL"
end
*xyz 0 1
Cl  -0.9604517972   0.5419088377  -2.9618478605
Cl  -3.3123714831   3.4500734815   0.8544065159
F    3.5717710284  -0.8147128735  -0.9876658659
F    2.2695620530   0.9041884830  -1.1049881963
F    4.6549707619   0.1545239895   1.3513710321
F    3.3370276743   1.8945883349   1.2273417782
O    2.0946541244  -0.4637659900   0.6564699698
N   -1.5878317589  -2.7893892172   0.1339826090
N   -1.1312239601  -3.4541889558   1.1985385916
N   -3.2930681375  -2.9423457332   1.4668637045
C    0.1685136331  -1.2224957713  -0.7099315669
C   -0.7280097516  -2.4444193381  -0.9712616027
C    1.2703369807  -1.5741435065   0.2849674696
C   -0.6626330763  -0.0285375621  -0.3181839431
C   -1.2322757296   0.8151450184  -1.2703054034
C   -0.9570523142   0.2459648179   1.0153435376
C    2.9228064542   0.0982660296  -0.2246024825
C   -2.0438359533   1.8855155180  -0.9276980317
C   -1.7664719093   1.3037443951   1.3922560736
C   -2.8756164138  -2.4854015548   0.3107594603
C   -2.3019675392   2.1196234146   0.4110523496
C    3.9687291137   0.9475562122   0.4982922163
C   -2.1871332978  -3.5229209951   1.9697293563
H    0.6401780267  -1.0314474653  -1.6755658610
H   -1.3655498632  -2.2448197853  -1.8309892341
H   -0.1201415325  -3.3145437756  -1.2192980011
H    0.8718303865  -1.9314971992   1.2312080288
H    1.8785957305  -2.3835826953  -0.1233578334
H   -0.5506417676  -0.3781061004   1.8002340033
H   -2.4655257385   2.5214819218  -1.6935832661
H   -1.9715240028   1.4836112591   2.4383698618
H   -3.4593985738  -1.9497374670  -0.4217239508
H    4.6628620308   1.4236476285  -0.1963544207
H   -2.1597742066  -4.0167501331   2.9287828455
*