! 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  -0.0762831472  -1.9189429621  -2.2402498652
Cl  -4.3908594642  -1.1254027544   0.8277663222
O    3.5921275733  -1.1187908981   0.6298492861
N    2.2575544000  -1.3424757906   0.7691839014
N   -0.3984845620   3.3854711234  -0.8265876175
C    1.9809269406   0.4705888885  -0.9158181842
C    1.5275520610  -0.6129925007   0.0294754267
C    0.0661649851  -0.7913079288   0.2182242906
C    1.3612501280   1.7833988190  -0.5228435325
C   -0.7593243634  -1.3279539291  -0.7641842651
C   -0.5288018359  -0.3717962813   1.4041874179
C    1.8779833181   2.5457658330   0.5177086097
C    0.2174003135   2.2582439143  -1.1547764402
C   -2.1297192676  -1.4376637436  -0.5912441134
C   -1.8940187950  -0.4708157957   1.6083114241
C   -2.6827976269  -0.9998892874   0.6003066557
C    1.2451226714   3.7267948938   0.8686338937
C    0.1088659526   4.1020218029   0.1682745473
C    4.3165046506  -1.9665293603   1.5013013690
H    3.0665059109   0.5503778592  -0.9223021922
H    1.6811130325   0.2099502612  -1.9330214931
H    0.0906619583   0.0513858137   2.1837074473
H    2.7665919458   2.2205854027   1.0460807216
H   -0.2179385076   1.6958227298  -1.9755469133
H   -2.7498129868  -1.8623873171  -1.3683753397
H   -2.3318482526  -0.1345950483   2.5377067349
H    1.6227302453   4.3476746504   1.6695752733
H   -0.4106842404   5.0196697585   0.4203207409
H    5.3683718199  -1.7321594871   1.3470729676
H    4.1522619092  -3.0219434029   1.2713794456
H    4.0634349780  -1.7843761824   2.5483407512
*