! 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  -2.1581274650   0.3680670881  -2.8107273712
Cl  -2.3064943026   4.9733575918  -0.1095940097
F    3.2913296281  -1.0648922665  -0.6871268854
F    2.5109932179   0.9466315374  -0.7057110096
F    2.6135727794   1.0157097750   2.0562550362
F    4.5190970089   0.6086490841   1.0672578891
O    1.3482322683  -0.6500642801   0.3308297992
N   -0.8756472077  -3.0137851233   0.9800111439
N   -1.4764975590  -3.8606943044   0.1433578777
N    0.1427469049  -4.9041420944   1.2837332511
C   -0.9423115469  -0.9060773037  -0.2848365545
C   -1.2472468099  -1.6200754419   1.0360925290
C    0.4995581504  -1.0902991852  -0.7357565310
C   -1.3044190612   0.5583886286  -0.2313459547
C   -1.8544910804   1.2193916279  -1.3301568215
C   -1.0534784429   1.3328225393   0.8993450814
C    2.5629140389  -0.1825582218   0.0424238961
C   -2.1681031022   2.5692952374  -1.3076022380
C   -1.3550669032   2.6830019221   0.9550179104
C    0.0924644608  -3.6451542173   1.6474214223
C   -1.9158429607   3.2903049312  -0.1542667221
C    3.3033948051   0.0925127733   1.3504632738
C   -0.8355475251  -4.9812661194   0.3616679334
H   -1.5517128717  -1.3922364049  -1.0495890479
H   -0.7141072600  -1.1910843396   1.8815370404
H   -2.3127369188  -1.5473995689   1.2528859696
H    0.7081264311  -2.1392183895  -0.9560754032
H    0.6727318945  -0.5226577883  -1.6522287984
H   -0.6131454317   0.8831746394   1.7778860046
H   -2.5993920765   3.0462548090  -2.1765795903
H   -1.1482350332   3.2481214329   1.8530055233
H    0.7142149544  -3.1576592940   2.3820453066
H    3.4227580572  -0.8107500900   1.9501627325
H   -1.0841807170  -5.8904160512  -0.1634059054
*