! 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  -0.2693566103  -1.2436375647   2.0549184059
Cl   1.0093828820  -5.3545433640  -1.0829903481
O   -0.8076058406   0.9532165536   0.1785907040
O    0.4772300738   1.2545316633  -1.6341710587
N    1.4034958671   2.5791758722   0.7216978847
N    1.9125917871   3.5169198622  -0.0800765021
N    0.6724991443   4.4535051867   1.5322543801
C    0.4266192296   0.6256136920  -0.3909590766
C   -1.5995411925   1.6802941401  -0.7593464119
C   -0.8591557755   1.4328387472  -2.0630382989
C   -3.0389450230   1.2104049027  -0.7769264218
C    1.5773449344   1.1760406580   0.4614115292
C    0.5603360174  -0.8896294042  -0.5306530494
C   -3.8806624319   1.6122585752   0.4305823452
C    0.2657797219  -1.7831049778   0.4985398174
C    1.0222659712  -1.4285720051  -1.7273487852
C   -3.5010709406   0.9406130587   1.7426695751
C    0.4018060717  -3.1538900958   0.3375841568
C    1.1647258373  -2.7928663281  -1.9168150727
C    0.6587321849   3.1505180698   1.6720933521
C    0.8460407948  -3.6469049426  -0.8766390433
C    1.4554106019   4.6224936812   0.4473507710
H   -1.5642113059   2.7476114213  -0.5035778276
H   -1.2355591237   0.5404314495  -2.5797513907
H   -0.8997670647   2.2759400483  -2.7513879661
H   -3.0608664730   0.1242346371  -0.9131677437
H   -3.4974731408   1.6411835006  -1.6733784682
H    2.5261599772   1.0314186692  -0.0532785007
H    1.6364113036   0.6500487675   1.4124698252
H   -4.9237172881   1.3758789679   0.2040336428
H   -3.8424006523   2.6997811314   0.5488516923
H    1.2778051877  -0.7684194193  -2.5443610239
H   -4.2200658443   1.1939028056   2.5236705136
H   -3.4921233616  -0.1461295502   1.6446363304
H   -2.5160513732   1.2421179821   2.0951277513
H    0.1630769332  -3.8242218994   1.1515846943
H    1.5191265791  -3.1756385336  -2.8636489131
H    0.1454862917   2.5874447096   2.4352491131
H    1.6967176169   5.5911337463   0.0376721296
*