! 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  -0.5163733873  -1.0197703681  -2.1569907432
Cl   4.0519196292  -2.0455508478   0.4164776553
O   -0.7581537716   2.5782229451   0.3140025253
N   -2.3574333007  -0.6674358730   0.6997830744
N   -3.3607538611  -2.4284423538  -0.1650712403
C   -0.9781417708   1.2452632759  -0.0604568211
C   -2.0252270080   0.7158478275   0.9288006769
C    0.2933565090   0.4267738509   0.0000468855
C    0.5763604974  -0.6158865382  -0.8754449250
C    1.2162984003   0.6802934194   1.0117324198
C   -1.6954294802  -1.7655341390   1.1777252395
C   -3.3427246390  -1.1249078273  -0.1059444907
C   -0.0783021360   3.3461785779  -0.6476051871
C    1.7278119231  -1.3810850226  -0.7611398677
C    2.3724785563  -0.0657314737   1.1538543862
C    2.6161819852  -1.0957143667   0.2596093960
C   -2.3324301279  -2.8410548355   0.6327530522
C    0.1157393862   4.7414764177  -0.1647967112
C   -0.2729769339   5.2323214539   1.0045713027
H   -1.4013705424   1.2004164189  -1.0720457399
H   -1.6602619880   0.8289959966   1.9506096314
H   -2.9340887333   1.3105314285   0.8353556795
H    1.0288558482   1.4863959229   1.7096091665
H   -0.8594014022  -1.6901463950   1.8531966476
H   -4.0191675296  -0.4543448520  -0.6141672573
H    0.9042168296   2.9149839351  -0.8873779173
H   -0.6375211745   3.3655179524  -1.5947874375
H    1.9223274180  -2.1855636388  -1.4567365463
H    3.0695312013   0.1550664535   1.9502238392
H   -2.1064259113  -3.8859523763   0.7797517807
H    0.6312244668   5.3837652523  -0.8717112487
H   -0.0768385687   6.2664541250   1.2559363697
H   -0.7890379284   4.6438154225   1.7515781408
*