! 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  -0.8578269513  -1.8230826781  -2.2820634752
Cl  -4.4171390423  -2.1993170815   1.6992236800
O    3.1123634308  -0.2999047798  -0.0471831173
N    1.9293086173  -0.8122742219   0.3735901001
N    3.0900641171   3.7514732171  -0.6718706631
C    1.0195150226   0.6811840588  -1.3641949182
C    0.9330731297  -0.3594905571  -0.2749392076
C   -0.3849884706  -0.8390087176   0.1957383646
C    1.4392638978   2.0155992376  -0.8036026453
C   -1.2934904698  -1.4805003682  -0.6430740699
C   -0.7560759113  -0.6536251650   1.5254590348
C    0.6153894457   2.7353572999   0.0536118309
C    2.6684932810   2.5797619610  -1.1266509360
C   -2.5341571519  -1.9029646187  -0.1959556681
C   -1.9879593628  -1.0676291611   2.0021946502
C   -2.8698209937  -1.6835891998   1.1300135155
C    1.0479845906   3.9577394645   0.5419573364
C    2.2928928833   4.4232846472   0.1498260335
C    4.1693945556  -0.7751309584   0.7649131674
H    1.7236264638   0.3633773884  -2.1359163495
H    0.0494550348   0.7877674516  -1.8488892232
H   -0.0674244192  -0.1638836457   2.2009156454
H   -0.3584426145   2.3520714274   0.3359909279
H    3.3417953834   2.0528530223  -1.7952140308
H   -3.2183518685  -2.4039536959  -0.8666587509
H   -2.2521969686  -0.9068165766   3.0380182094
H    0.4304759430   4.5429844218   1.2096309040
H    2.6593015210   5.3778385650   0.5108003061
H    4.2597563338  -1.8628412262   0.7194564389
H    4.0480715074  -0.4681255324   1.8062118917
H    5.0795262721  -0.3276609807   0.3698344771
*