! 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  -5.1704589742  -3.1144674056  -0.9642434453
Cl   2.9174977221   3.3043987561  -1.3486694465
O   -0.0214240576   2.1589530072  -1.9566876484
N    0.5140703561   0.1840399741  -1.0171587833
N    2.4568275950   3.8458095338   1.1437838008
C    0.4592461366  -1.6969737035   0.5267501316
C    1.1532503350  -0.6328423469  -0.0609074863
C   -0.9325998245  -2.0277862775   0.1463820916
C    1.1025853645  -2.4522705758   1.5047351619
C    2.4708252984  -0.3743484669   0.3024894017
C   -1.9498533812  -1.9882189588   1.0969892950
C   -1.2516866370  -2.4194935325  -1.1525156745
C    2.4014064459  -2.1674711301   1.8952849629
C    3.0884722261  -1.1277576098   1.2865906463
C    0.4588068450   1.5340058365  -1.0305072650
C    0.9646327473   2.2449532723   0.1836324834
C   -3.2543483293  -2.3204908569   0.7637571390
C   -2.5506190943  -2.7534567159  -1.5019667378
C   -3.5439569840  -2.6984663163  -0.5373197368
C    0.3240669379   2.1081267470   1.4067719353
C    2.0303788303   3.1364339652   0.1310587104
C    0.7563127079   2.8570788008   2.4887974004
C    1.8261673516   3.7152661928   2.3063028954
H    0.5741926514  -3.2793828541   1.9622459949
H    3.0257063580   0.4124045674  -0.1917303637
H    0.0430632762  -0.2629734234  -1.7920388041
H   -1.7297746985  -1.6884144254   2.1138421731
H   -0.4780731205  -2.4950745483  -1.9074718553
H    2.8784018670  -2.7652032072   2.6606016033
H    4.1107159549  -0.9080708416   1.5646673406
H   -4.0317219523  -2.2809911289   1.5147709182
H   -2.7765879657  -3.0605772371  -2.5140788061
H   -0.5108315590   1.4266394085   1.5119625132
H    0.2763071477   2.7769451360   3.4534731103
H    2.1985421340   4.3184723556   3.1250846722
*