! 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  -0.0437488561  -1.1183348653   2.8880052883
Cl  -4.6140447939  -1.9243681729   0.2117932425
O    3.2075144953  -0.6690312724  -0.6280250457
N    1.9393464598  -1.1383875336  -0.5274533774
N    2.5579222806   3.4185415835  -1.8525441091
C    1.5739273761   0.9195713191   0.7940599951
C    1.1795342821  -0.3962290808   0.1715238224
C   -0.2399452743  -0.8141718035   0.2067228164
C    1.4721257022   2.0048250817  -0.2463968984
C   -0.9096868914  -1.1154503228   1.3897764316
C   -0.9620077512  -0.8939080865  -0.9814557620
C    0.2415917140   2.5429373428  -0.6070626814
C    2.5971636625   2.4893570633  -0.9066711498
C   -2.2515006766  -1.4576004099   1.4076459217
C   -2.3028302071  -1.2384204593  -0.9966772291
C   -2.9367685701  -1.5080712996   0.2044568716
C    0.1883930876   3.5093171753  -1.5975745172
C    1.3735663933   3.9106652801  -2.1934624896
C    3.9964998402  -1.5501757519  -1.4049765087
H    0.9072479064   1.1515983733   1.6244235008
H    2.5845064147   0.8703478049   1.2002596043
H   -0.4659383112  -0.6693555757  -1.9162354626
H   -0.6673546618   2.2193063877  -0.1141832397
H    3.5795802574   2.1107688206  -0.6457552619
H   -2.7474179909  -1.6895270934   2.3397929501
H   -2.8399786880  -1.2882603809  -1.9332843904
H   -0.7521799423   3.9488845890  -1.9001426275
H    1.3644561065   4.6633293489  -2.9737708257
H    4.0546160769  -2.5446606265  -0.9568449307
H    4.9942496284  -1.1162052905  -1.4337592578
H    3.6184153656  -1.6377230419  -2.4260764491
*