! 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   0.2130102255  -0.2433225935   2.3386421408
Cl  -4.4371064204  -1.2935929437  -0.0800657987
O    3.5758513390  -1.4107473040   0.1200366963
N    2.2356449539  -1.5912768565   0.2735932553
N   -0.3647870650   3.2108615018  -1.6280146018
C    2.0096387155   0.3047735453  -1.3239319796
C    1.5261406429  -0.7905401694  -0.4078055096
C    0.0573626572  -0.9475710047  -0.2801432296
C    1.2991157677   1.5938436996  -1.0181125590
C   -0.6313037471  -0.7156850308   0.9077200115
C   -0.6896262401  -1.2807979164  -1.4070572346
C    1.5686048952   2.3080884539   0.1434769207
C    0.3187709573   2.0992950322  -1.8638637256
C   -2.0122827555  -0.8215297419   0.9802765277
C   -2.0671906689  -1.3974093857  -1.3624191749
C   -2.7158764633  -1.1643314422  -0.1610634405
C    0.8628427013   3.4710837245   0.4004914195
C   -0.0958504347   3.8792824731  -0.5138878550
C    4.2824456175  -2.2730629069   0.9906486024
H    3.0875732947   0.4343092246  -1.2359511418
H    1.8152764230   0.0107386846  -2.3596736092
H   -0.1818103020  -1.4621030052  -2.3455941881
H    2.3239790219   1.9620006989   0.8386861902
H    0.0775233202   1.5742313017  -2.7832293725
H   -2.5276131796  -0.6328671479   1.9118517912
H   -2.6213575074  -1.6646819587  -2.2511601954
H    1.0475570071   4.0524576590   1.2934600456
H   -0.6688740539   4.7830904063  -0.3399182071
H    5.3394432968  -2.0807936509   0.8151591246
H    4.0757162125  -3.3246130648   0.7799031876
H    4.0555157623  -2.0669607036   2.0390680177
*