! 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  -5.3823956631  -0.4510440610   0.6837431572
O    3.5045564608   0.8270490822   0.3711224482
O    0.3859364781  -0.6999511496  -0.3086239326
N    1.0955450658   1.4812678687  -0.6557004361
N    1.0278710155   1.4522269103  -1.9871858455
N    0.9477271105   3.5615969818  -1.2382274005
C    3.0725303546  -1.5763338009   0.6362620496
C    2.7253223378  -0.2520080293  -0.0925853386
C    1.2941273810   0.2642932157   0.1077618769
C    2.5889987177  -1.5716687148   2.0858018690
C    2.4955561280  -2.7857971298  -0.1053901572
C    4.5995532816  -1.7232657809   0.6264042971
C    1.0564628922   2.7433020072  -0.2217726177
C   -0.9372715878  -0.5639869381  -0.0363126348
C    0.9332497180   2.7195596325  -2.2918367119
C   -1.7696555498  -1.5069921991  -0.6328171706
C   -1.4832904780   0.4121235633   0.7872112924
C   -3.1333706688  -1.4779843301  -0.4103878322
C   -2.8542838068   0.4429218489   1.0071724894
C   -3.6720505388  -0.4971585702   0.4092463559
H    2.8804253944  -0.4088075479  -1.1693149592
H    1.1593426138   0.5356582034   1.1611239464
H    2.9640925753  -0.7080286536   2.6387043636
H    1.5000560757  -1.5781375328   2.1665071061
H    2.9442657429  -2.4639323600   2.6055448610
H    2.7478060552  -2.7616622190  -1.1681448211
H    1.4145248116  -2.8669183617  -0.0221052690
H    2.9179853555  -3.7061463242   0.3030096537
H    5.0098549166  -1.6731003583  -0.3860094395
H    4.8806533977  -2.6952235979   1.0352360511
H    5.0991618219  -0.9675918524   1.2330892784
H    4.3511719532   0.8212532707  -0.0823368137
H    1.1062124609   3.0116301111   0.8220417248
H    0.8470103923   3.0533185319  -3.3142726540
H   -1.3465859979  -2.2675373796  -1.2758668553
H   -0.8808381431   1.1613967953   1.2799356240
H   -3.7683197710  -2.2174822404  -0.8786108959
H   -3.2685397189   1.2086759446   1.6479879759
*