! 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   4.5190852690  -0.1156126635   0.0000707670
O   -2.1775741165  -1.6135985975   0.0009114849
N   -3.6310856534   0.1295610485  -0.0008014886
N   -1.3640697055   0.5140434325   0.0012855702
C    0.0077793778   0.2789527375   0.0007335661
C   -2.3852085540  -0.4055528401   0.0004856100
C    0.6127513774  -0.9802532102  -0.0007670182
C    0.8329014012   1.4089751827   0.0015633612
C   -4.7908527431  -0.7350395498  -0.0002886875
C   -3.8823289929   1.5558016845  -0.0031268054
C    1.9955633303  -1.0910994581  -0.0010390643
C    2.2104559054   1.2974858093   0.0011625313
C    2.7917938324   0.0397660626  -0.0000327582
H   -1.6082364860   1.4911919573   0.0041969566
H    0.0238218741  -1.8813723225  -0.0013607835
H    0.3932571605   2.3996338619   0.0031039107
H   -5.4057355985  -0.5563237463   0.8840499030
H   -4.4917105944  -1.7776287189   0.0007683021
H   -5.4050521455  -0.5579124442  -0.8853901866
H   -3.4854719281   2.0518627314   0.8860852715
H   -4.9563883088   1.7222642776  -0.0037334680
H   -3.4846603844   2.0497070619  -0.8934011905
H    2.4409758036  -2.0769799813  -0.0024969959
H    2.8190623031   2.1915544550   0.0014921976
*