! 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   0.7766629848   2.1599759995   1.0666167512
Cl   4.9436304184  -0.3503365895  -1.0716994262
O   -1.4151249546  -1.6813703212   0.1959073332
O   -1.3801201472   0.2447924920   1.2912223212
N   -1.4736535701   1.6544770755  -1.2803066333
N   -0.4689836831   2.0345806802  -2.0730163610
N   -1.4702812242   3.8194319237  -1.1656417972
C   -0.9954670136  -0.3514352234   0.0982194742
C   -1.3833808797  -2.0621083681   1.5736361558
C   -1.1523906439  -0.7250881743   2.2965323079
C   -2.6804374980  -2.7537243409   1.9426495495
C   -1.7824595494   0.2680695520  -1.0605461316
C    0.5171420067  -0.2966171774  -0.1365577916
C   -2.9429279994  -4.0291849452   1.1518534457
C    1.3514988101   0.7551591796   0.2379863728
C    1.1059399892  -1.3586716192  -0.8203304870
C   -4.2199809188  -4.7299047128   1.5895369405
C    2.7115723553   0.7403752925  -0.0423683491
C    2.4558015876  -1.3953567442  -1.1190064540
C   -2.0582585893   2.7287104229  -0.7422509484
C    3.2516407538  -0.3362480504  -0.7201686629
C   -0.5029433855   3.3381137548  -1.9717123172
H   -0.5404685281  -2.7411108293   1.7434083072
H   -1.8544698000  -0.5495120594   3.1121052857
H   -0.1359946210  -0.6525467098   2.6971586596
H   -3.5126889193  -2.0520400417   1.8179236880
H   -2.6339083377  -2.9921661086   3.0100688608
H   -2.8472925391   0.1802442847  -0.8425681731
H   -1.5795462735  -0.2788931245  -1.9801970124
H   -2.0943357245  -4.7100558192   1.2716824850
H   -3.0037778573  -3.7991566609   0.0853291580
H    0.4922497328  -2.1919474365  -1.1336031636
H   -5.0922376901  -4.0854275050   1.4623857045
H   -4.3956366887  -5.6355064470   1.0071578592
H   -4.1769061955  -5.0197791600   2.6413695676
H    3.3370583212   1.5670151227   0.2648891283
H    2.8735768749  -2.2384668672  -1.6512456432
H   -2.8977516517   2.6650464916  -0.0680033061
H    0.1921021600   3.9676984974  -2.5053119423
*