! 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   0.4940190708  -1.2859693416  -2.3272390334
Cl   4.8092429319   0.6282321895   0.1453481086
O   -1.6347347120  -1.3606119379  -0.2646379788
O   -1.7227647011   0.2074815128   1.3019608858
N   -1.2782209041   2.2167893483  -0.8550454412
N   -0.2647455348   2.6193815006  -1.6247376951
N   -0.7944762755   4.2044714816  -0.1365119786
C   -1.1974614987  -0.0758659766   0.0399894202
C   -1.7643963531  -2.0967084299   0.9499910494
C   -1.6887306579  -1.0074227079   2.0339341913
C   -3.0739639737  -2.8643939016   0.9268561888
C   -1.8208515748   0.8893454714  -0.9746186481
C    0.3272847328   0.0394496069   0.0580945434
C   -3.2488222353  -3.8079619117   2.1145619028
C    1.1450129561  -0.4542017479  -0.9554988545
C    0.9476973219   0.7354011348   1.0912275747
C   -2.2711699991  -4.9752128211   2.1331074020
C    2.5210261063  -0.2841923030  -0.9345815490
C    2.3181064111   0.9238434423   1.1376911549
C   -1.5790637975   3.1683875195   0.0335273513
C    3.0953759595   0.4062124242   0.1178962826
C   -0.0093448033   3.8148672207  -1.1611220360
H   -0.9176774276  -2.7843591258   1.0407220877
H   -2.5401095833  -1.0154137144   2.7159465551
H   -0.7744964126  -1.0904150447   2.6289876074
H   -3.1319583807  -3.4420456752  -0.0006287496
H   -3.8995172633  -2.1460800415   0.9036112598
H   -2.8996206019   0.9212948782  -0.8200173014
H   -1.6361182143   0.5456152636  -1.9896589113
H   -4.2681663486  -4.1998027393   2.0879439159
H   -3.1731714176  -3.2508046726   3.0538104616
H    0.3482919492   1.1533522162   1.8878339374
H   -1.2361871503  -4.6522484324   2.2551120166
H   -2.4919537315  -5.6542782372   2.9577685236
H   -2.3278976932  -5.5531035005   1.2084326145
H    3.1320555818  -0.6806653245  -1.7335885434
H    2.7642854254   1.4688979129   1.9577236974
H   -2.3671439796   3.0683462289   0.7631612982
H    0.7681835927   4.4336416940  -1.5816745485
*