! 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   0.3041288181   0.2052800599   2.1785969908
Cl  -7.6894236371   0.7008500078   0.5770344333
O    3.4637904956  -0.3785261047  -0.9983181402
O    3.0394460097   0.3021659643   1.1005629135
O   -2.4342082741   1.6309244348  -1.8338144655
N    3.6149160220  -2.5171232478   0.7772855810
N    4.0778966271  -2.4647103734   2.0282110528
N    5.5765706181  -3.4379578078   0.6779691890
C    2.5249979969  -0.4431047827   0.0297748744
C    4.3083332124   0.7471421779  -0.7697507755
C    2.3596282690  -1.9228568011   0.4046225325
C    4.3115733231   0.8108802423   0.7458312510
C    1.1801062003   0.1265621565  -0.4119791675
C    5.6561026741   0.5210532164  -1.4030984884
C    0.1451198414   0.4366582510   0.4679369923
C    0.9311175102   0.3212423200  -1.7679044824
C   -1.0720593396   0.9350752510   0.0289942708
C   -0.2774539652   0.8041501896  -2.2355989596
C   -1.2810394121   1.1123376385  -1.3310454616
C    4.5214269200  -3.0914619881  -0.0178347616
C    5.2528161711  -3.0299943174   1.9217428045
C   -3.6345486634   1.3796078631  -1.2280982993
C   -4.5268821490   2.4354865932  -1.1240708739
C   -3.9890188276   0.1103759415  -0.7892723287
C   -5.7827149248   2.2264582405  -0.5759399286
C   -5.2388035069  -0.0959126748  -0.2281876043
C   -6.1273187244   0.9630272763  -0.1238130753
H    3.8438722526   1.6496460285  -1.1871246632
H    1.9545374815  -2.4697587386  -0.4470757105
H    1.6641082481  -2.0399368842   1.2328342496
H    5.1125858677   0.1981947500   1.1768084170
H    4.4143816148   1.8279590490   1.1259785211
H    6.3107004653   1.3653839648  -1.1842337088
H    6.1305697588  -0.3829889144  -1.0185726183
H    5.5786382459   0.4392785433  -2.4873141912
H    1.7007343575   0.0820414668  -2.4882696068
H   -1.8395881605   1.1836329618   0.7500860412
H   -0.4382657545   0.9410118862  -3.2968575488
H    4.3663943963  -3.2426652922  -1.0742433845
H    5.9002296325  -3.1609038011   2.7751058536
H   -4.2464752666   3.4205868329  -1.4736142709
H   -3.3072997318  -0.7253365486  -0.8811748493
H   -6.4781590179   3.0508255069  -0.4975540549
H   -5.5135143235  -1.0837397692   0.1155772260
*