! 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
O   -0.2882187990  -1.4895730930  -0.7414766915
O   -0.7510612880  -0.3832000071   1.1679876864
O    5.3840666780   1.7994653204   0.1269250214
O    3.2254972862   1.8515357865  -0.4934210249
N   -2.2555863072  -0.5247319223  -0.5557350972
N    4.2535244826  -0.0834253736   0.1785087853
C   -3.3481005097   0.2182348723  -0.0956070952
C   -5.6300419155   0.9174233325  -0.5563071655
C   -4.4898162974   0.2001148457  -0.8969127306
C    3.2333710194  -1.0286134747   0.1003223783
C    0.9950445984  -1.7631320412  -0.3112587778
C   -3.3492312906   0.9693704621   1.0794614044
C   -5.6215572538   1.6640149321   0.6189461937
C    1.9264380952  -0.7375513208  -0.2837873044
C   -4.4896755512   1.6821305692   1.4184864130
C   -6.8290979491   0.8998961451  -1.4570645176
C    3.5697441025  -2.3442293337   0.4346182914
C    1.3084227501  -3.0663631810   0.0199566068
C    2.6180429022  -3.3447354873   0.3885808074
C   -1.0809291419  -0.7515573402   0.0692750760
C    4.1950434804   1.2448302001  -0.0989096940
C    5.4963946671   3.1981681218  -0.1208415987
H   -4.4875871998  -0.3866865831  -1.8100578569
H   -2.4874131882   1.0109695673   1.7250447300
H   -6.4988021659   2.2288669762   0.9093960613
H    1.6304215048   0.2604788525  -0.5657750647
H   -4.4879209868   2.2631280354   2.3319570734
H   -2.3628954576  -0.9402102165  -1.4701551169
H    4.5843907855  -2.5826956876   0.7304282129
H    0.5568401304  -3.8436619312  -0.0150463931
H   -6.6742714804   1.5404431761  -2.3280587895
H   -7.0391367902  -0.1028190194  -1.8306931431
H   -7.7204367037   1.2592121457  -0.9437171348
H    2.8981410935  -4.3559021070   0.6516862761
H    5.1473779883  -0.4328950498   0.4923733558
H    4.8237660836   3.7754268555   0.5138344498
H    5.3042870076   3.4394348156  -1.1665229500
H    6.5231953242   3.4596165294   0.1206611116
*