! 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   0.7440539768  -1.0001267057  -2.0968700361
Cl   5.6251302060  -0.6033041826   0.0005196664
O   -1.1001936506  -0.5555507371   0.1359929843
O   -0.6128997529   0.8468353569   1.7847996245
N   -2.0776414805   1.9564337645  -0.4493085220
N   -2.7006130656   2.6615265099   0.4972466130
N   -4.1840792911   1.7814510709  -0.9313764911
C   -0.3000603258   0.5293444965   0.4650893569
C   -1.3543984046  -1.3178655795   1.3102758100
C   -0.9294297795  -0.3662466758   2.4428640005
C   -2.8105715233  -1.7330817078   1.3900438622
C   -0.6606861030   1.7239450063  -0.4232586553
C    1.1898930561   0.2139215165   0.3173714807
C   -3.2737756938  -2.7647087456   0.3653020035
C    1.7279880639  -0.4632919664  -0.7759081924
C    2.0799256387   0.6530682586   1.2934321761
C   -3.3882204377  -2.2682608391  -1.0686289066
C    3.0870262558  -0.7223792786  -0.8785488709
C    3.4411242211   0.4141658012   1.2140747923
C   -2.9733032696   1.4297301808  -1.2865939626
C    3.9321035891  -0.2827816077   0.1248269336
C   -3.9590736376   2.5306188302   0.1672338506
H   -0.7194801628  -2.2113280345   1.3079260233
H   -1.7297728080  -0.1679288311   3.1571199461
H   -0.0683305547  -0.7565171186   2.9931886516
H   -3.4418180664  -0.8396313436   1.3468377560
H   -2.9541624898  -2.1592756041   2.3872126643
H   -0.3230397557   1.5553069868  -1.4445834840
H   -0.1582187598   2.6184966991  -0.0578527828
H   -4.2531497132  -3.1293351580   0.6845632108
H   -2.6089880680  -3.6328458453   0.4032152526
H    1.7046791905   1.2025826018   2.1455107539
H   -4.0292716453  -1.3876759468  -1.1313770522
H   -2.4223397735  -2.0078791537  -1.4969828889
H   -3.8315374315  -3.0374587937  -1.7034892048
H    3.4767106852  -1.2577982264  -1.7331559352
H    4.1014594042   0.7681656239   1.9933325336
H   -2.6981932830   0.8157147778  -2.1289925149
H   -4.7479369251   3.0008096475   0.7337346500
*