! 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  -0.1968230801  -1.2358232099   2.8230352942
Cl  -4.4442552144  -1.6294670177  -0.4204916965
O    3.4960255608  -0.8638823956  -0.1266437230
N    2.1961091910  -1.2600947641  -0.1989011928
N   -0.2068394208   3.5412075556  -0.9468263836
C    1.7024803611   0.9000532732   0.9303514655
C    1.3793041494  -0.4416993450   0.3253166237
C   -0.0535657935  -0.7832579413   0.1613048302
C    1.3822647777   1.9603565417  -0.0894004308
C   -0.8734314145  -1.1124856776   1.2355349866
C   -0.6309928361  -0.7307673065  -1.1037166759
C    2.2360578183   2.2385429211  -1.1502478119
C    0.1733114433   2.6469144950  -0.0445742981
C   -2.2231541299  -1.3776789776   1.0725487341
C   -1.9767998519  -0.9895230761  -1.2988055620
C   -2.7607597980  -1.3074540429  -0.2023709560
C    1.8512102577   3.1734902084  -2.0969504424
C    0.6189610158   3.7929485765  -1.9545219736
C    4.3330474926  -1.8543928982  -0.6940281227
H    1.0929175318   1.0544785840   1.8215948403
H    2.7448868201   0.9578622044   1.2401949914
H   -0.0146058496  -0.4719394164  -1.9543432676
H    3.1874945575   1.7282967672  -1.2377932955
H   -0.5199124305   2.4606903537   0.7704237778
H   -2.8392147686  -1.6394659076   1.9213587328
H   -2.4026454426  -0.9368351759  -2.2909467987
H    2.4907983097   3.4157310473  -2.9347196581
H    0.2864983259   4.5233080427  -2.6838439939
H    5.3491608247  -1.4705466795  -0.6225113388
H    4.0949485384  -2.0323692809  -1.7451991361
H    4.2722848608  -2.7986446399  -0.1480009624
*