! 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 4
end
%cpcm
    smd    true
    smdsolvent "1-OCTANOL"
end
*xyz 0 1
O    3.8914015359   0.4382825174  -0.0000989838
O    2.2247940218   1.8429219672   0.0016951370
N   -0.3479706755  -1.3397305982   0.0014743793
N   -0.2683107566   0.8280437041   0.0002396331
N    1.8009581195  -0.4325997586  -0.0001260434
C   -1.6562974287  -0.9073767151   0.0011142068
C   -1.6044280952   0.4881478495   0.0002591613
C    0.4990712355  -0.2853173810   0.0005253905
C   -2.8612371347  -1.5864489173   0.0011814919
C   -2.7549114429   1.2552356010  -0.0007746793
C   -4.0186852984  -0.8178956334   0.0002384568
C   -3.9668769486   0.5760359914  -0.0008024875
C    2.5749530759   0.6685023339  -0.0001167848
C    4.3860806625  -0.8934187055  -0.0008649661
H   -0.0331400823  -2.2978391434   0.0007162564
H   -2.9025354752  -2.6672960488   0.0019251665
H   -2.7136443080   2.3360485530  -0.0019069796
H   -4.9801872336  -1.3136398076  -0.0001246400
H   -4.8887242285   1.1420822562  -0.0023640393
H    4.0758109142  -1.4457715032  -0.8881644399
H    4.0774089267  -1.4460954504   0.8868007730
H    5.4710780370  -0.8077421835  -0.0019945716
H    0.1348586073   1.7544563321  -0.0004385124
*