! 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   0.7784784062  -0.4431257594   1.8884423691
Cl  -7.0067537969   1.4150929567   0.9681305891
O    3.9537566190   0.8354542804  -1.0510104398
O    3.3961893460   0.4901968531   1.0749985588
O   -2.1835935852   0.2612333066  -2.1463049465
N    3.0064989541  -2.3727432076   0.4212254443
N    3.3423309701  -2.6304215015   1.6871437863
N    1.5769725161  -3.8656702455   1.0784915059
C    3.1699981145   0.0284119325  -0.2132759465
C    4.2287963116   2.0720225449  -0.3849065642
C    3.7158992451  -1.3974489761  -0.3617781672
C    3.5211101187   1.8946189116   0.9617096390
C    1.7008929063   0.1153870834  -0.6359361169
C    5.7248204572   2.2656698727  -0.2753455650
C    0.6071075090  -0.0905858612   0.2020751805
C    1.4173305944   0.3587910107  -1.9808958918
C   -0.7003119781  -0.0400842760  -0.2659594152
C    0.1285152216   0.4195444060  -2.4721637350
C   -0.9376210264   0.2245620549  -1.6051095624
C    1.9509140498  -3.1149497303   0.0723462771
C    2.4599591743  -3.5288040515   2.0401275745
C   -3.2765670971   0.5323305610  -1.3661189427
C   -4.3508620270  -0.3404601769  -1.4329737255
C   -3.3431234350   1.6782961761  -0.5843968856
C   -5.5072081616  -0.0660669248  -0.7185512377
C   -4.4924166648   1.9464599181   0.1406372139
C   -5.5671967264   1.0728935948   0.0675802805
H    3.7834421275   2.8919050564  -0.9550675329
H    4.7630137443  -1.4140444570  -0.0606658568
H    3.6615734344  -1.6914190667  -1.4095757806
H    4.1012027743   2.2613216062   1.8083680489
H    2.5421094812   2.3863618660   0.9747847982
H    5.9463100282   3.2340661057   0.1747754622
H    6.1829872995   1.4913431742   0.3430840084
H    6.1985031564   2.2449727945  -1.2577353433
H    2.2336873801   0.5169941244  -2.6720705133
H   -1.5158544881  -0.2180709281   0.4221303747
H   -0.0499148636   0.6175107509  -3.5210476891
H    1.5080122929  -3.0821356163  -0.9113663104
H    2.4554522367  -3.9644023545   3.0274901049
H   -4.2924672049  -1.2293176679  -2.0478087945
H   -2.5102869405   2.3686138331  -0.5364051619
H   -6.3482423101  -0.7436796960  -0.7759709002
H   -4.5455824284   2.8377900028   0.7506968475
*