! 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   2.5067078280   0.1068777867  -2.7571449161
Cl  -7.0007074666  -0.5324732915   1.1025575635
O    4.1862510937   0.6024719684  -0.3482787347
O    3.3316204801   0.2878768505   1.6751059723
O   -2.0775337921   1.4896616069  -1.3437729628
N    2.1687454892  -2.2566183447   0.6563960660
N    1.1940318186  -2.6598762635  -0.1609509371
N    0.6509360983  -3.0784561215   1.9689346816
C    3.1468654779  -0.0273056657   0.3229918076
C    4.3928118871   1.8535822252   0.2979111021
C    3.3123095329  -1.5416617701   0.1519455288
C    3.9336307584   1.5731291733   1.7380882338
C    1.7690668177   0.4370729790  -0.1455048121
C    5.8383356200   2.2632385094   0.1684176000
C    1.3953720230   0.4935806769  -1.4854665268
C    0.7893657151   0.7441976300   0.7944877445
C    0.1095504603   0.8325784850  -1.8745775577
C   -0.4998938063   1.0941708156   0.4359623951
C   -0.8367237301   1.1276887096  -0.9080178309
C    1.8292926110  -2.5061934017   1.9239593703
C    0.3082936985  -3.1476122199   0.6673430178
C   -3.1899129799   0.9835677895  -0.7341363481
C   -4.3134965144   1.7970744024  -0.7029393223
C   -3.2407305760  -0.3028380839  -0.2129134273
C   -5.4918334683   1.3280926631  -0.1457600052
C   -4.4159248881  -0.7673439376   0.3559109743
C   -5.5337481184   0.0505010043   0.3886807048
H    3.7514627831   2.6143832842  -0.1618114448
H    4.2098813669  -1.8685486486   0.6766638140
H    3.4229659084  -1.7983814898  -0.8985573250
H    4.7671302705   1.5288584482   2.4427520827
H    3.2251099810   2.3268383305   2.0908936264
H    6.0009650469   3.2122028435   0.6804920173
H    6.5026898821   1.5205708250   0.6128472850
H    6.1193611710   2.4022283716  -0.8758095347
H    1.0336621250   0.7090125375   1.8465982867
H   -0.1606377718   0.8622067036  -2.9216601818
H   -1.2239093062   1.3338921472   1.2034382766
H    2.4615995548  -2.2639625832   2.7631322319
H   -0.6188033941  -3.5768872998   0.3202184545
H   -4.2714697101   2.7959454770  -1.1170289902
H   -2.3782675155  -0.9554889229  -0.2462335847
H   -6.3655739426   1.9648730951  -0.1250590407
H   -4.4512015961  -1.7679119727   0.7641680897
*