! 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  -0.3505694949  -1.0147352780   2.8839387432
Cl  -4.5227388108  -2.3531330394  -0.1955148651
O    3.2061970083  -0.4207178300  -0.2461014412
N    1.9738166411  -0.9890709071  -0.2941374434
N    0.4025708152   3.4744078151  -1.8174426968
C    1.3101684118   1.0583808606   0.9181376957
C    1.0815606804  -0.2926719850   0.2846018735
C   -0.2940494288  -0.8286530577   0.1852340880
C    1.4647026929   2.1103882659  -0.1507361490
C   -1.0521263681  -1.1500135863   1.3083787371
C   -0.8795912988  -1.0134489452  -1.0645153680
C    2.6967833446   2.6550219851  -0.4889658545
C    0.3518475084   2.5676922288  -0.8519156042
C   -2.3503871553  -1.6202915420   1.2070117714
C   -2.1757619956  -1.4817675113  -1.1975023510
C   -2.9009158294  -1.7754246040  -0.0548996875
C    2.7607320684   3.6117838979  -1.4895137122
C    1.5888688697   3.9831200167  -2.1286889263
C    4.1421390111  -1.2250946654  -0.9383435887
H    0.4630617219   1.3139183765   1.5537954330
H    2.1924650181   1.0379428577   1.5596754477
H   -0.3106647824  -0.7736394550  -1.9530131233
H    3.5949726151   2.3451073401   0.0293695946
H   -0.6346939135   2.1808457697  -0.6123612709
H   -2.9159118649  -1.8700452585   2.0939403858
H   -2.6100286140  -1.6099485244  -2.1791843645
H    3.7027795801   4.0617058088  -1.7725263178
H    1.6064944632   4.7267626913  -2.9175504893
H    3.8829832428  -1.3293451116  -1.9943830776
H    4.2342717772  -2.2176495731  -0.4917466383
H    5.0992609578  -0.7125965268  -0.8597400499
*