! 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   0.4944001838   0.4908552343   2.5318370245
Cl   5.2596994259  -0.7811427538   0.4974844973
O   -1.1753001693   1.2429981687   0.1393711078
N   -2.8399555884  -1.0644548784  -0.2686093389
N   -4.6103500295  -1.3812616583  -1.5424936440
C   -0.6497359291   0.0575718383  -0.3923895756
C   -1.4623188074  -1.1109786489   0.1608812104
C    0.8271878401  -0.1286744885  -0.1074108241
C    1.4210117288   0.0324450568   1.1427391901
C    1.6577567424  -0.5004853905  -1.1604910154
C   -3.8544232657  -0.3401977268   0.2923670681
C   -3.3465133712  -1.6632625492  -1.3696015839
C   -0.7020414154   2.4219671951  -0.4646291363
C    2.7803620240  -0.1642023121   1.3371291486
C    3.0158753019  -0.7118015038  -0.9981531137
C    3.5656529661  -0.5368027624   0.2596527716
C   -4.9398767026  -0.5534206193  -0.5067245390
C   -1.3739879286   2.7740251664  -1.7545584581
C   -2.4689154151   2.2136546827  -2.2516260205
H   -0.7625683189   0.0424009515  -1.4855912140
H   -1.0268158093  -2.0459977767  -0.1904626705
H   -1.4334140692  -1.1293766373   1.2497037815
H    1.2270954846  -0.6246653014  -2.1464752426
H   -3.7226716049   0.2426701864   1.1881637301
H   -2.7447814121  -2.3019316162  -1.9989933458
H   -0.8639569115   3.2299561373   0.2557291755
H    0.3842133840   2.3863523215  -0.6236399056
H    3.2166221792  -0.0292352457   2.3172465371
H    3.6294042149  -0.9979355692  -1.8408857448
H   -5.9366198509  -0.1573888862  -0.3865944450
H   -0.8957991820   3.5843236915  -2.2974404675
H   -2.8843282017   2.5499214219  -3.1927569724
H   -2.9996177856   1.4135498032  -1.7497202539
*