! 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    2.4065694013  -1.0505775159   1.9066306444
O    1.7342794262   1.0761977812   2.0053709860
O   -0.3538612405   2.2962135959  -1.3019799806
O    2.7709165399   0.6582408705  -1.1564624836
N    0.8280791662  -0.4407041543   0.5197782136
N    0.0090021993   0.3998393710  -0.1743063027
C    1.1484514889  -1.7755553210   0.0637500487
C   -1.3904215806   0.0955336193  -0.1345713772
C    1.9897363903  -2.2523136448   1.2420977305
C   -1.9725640008  -0.4942515234  -1.2614795341
C   -2.1294614229   0.3720503513   1.0178929900
C    1.6507589760  -0.0222955393   1.5204330935
C    0.4517455397   1.5037440127  -0.8557470065
C   -3.3234748520  -0.8229964791  -1.2084190820
C   -3.4776825211   0.0242269186   1.0297956702
C   -1.1925037041  -0.7621884569  -2.5137024867
C   -1.5217738311   1.0228130857   2.2220004809
C   -4.0712487084  -0.5702823577  -0.0704519669
C    1.9436475151   1.7726672169  -1.0073739026
C    2.8002843275   0.1614614044  -2.4759721543
H    1.7055670557  -1.7607283731  -0.8740606430
H    0.2538961214  -2.3840442071  -0.0643709784
H    1.4085394913  -2.8532867897   1.9418085040
H    2.8737275064  -2.8074725776   0.9393617696
H   -3.7916447756  -1.2822846465  -2.0702634814
H   -4.0689826009   0.2325574255   1.9129797564
H   -0.2882642353  -1.3424828320  -2.3290755834
H   -1.7942483310  -1.3273079788  -3.2238269611
H   -0.8958227110   0.1622829142  -3.0109726311
H   -2.3025234391   1.4051263961   2.8783753979
H   -0.9309581694   0.3168875011   2.8081378433
H   -0.8713170975   1.8555191554   1.9597818327
H   -5.1211644390  -0.8320475501  -0.0434920104
H    2.2696235854   2.3239127232  -0.1216437098
H    2.0355334973   2.4623133518  -1.8548615191
H    3.4835865663  -0.6864931669  -2.4980459864
H    3.1651618688   0.9151280318  -3.1826894938
H    1.8194601377  -0.1781588830  -2.8273280376
*