! 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   -0.7155258130  -2.7246138320   0.3837933861
O    2.5435262880   2.4931416382   0.3924831456
O    0.5605731260   3.3856078576  -0.1343559125
N   -0.9118271240  -0.4626292411   0.2783076282
N    1.0950861137  -1.4656152831   0.9111014264
N   -1.4742159930   1.6074159122  -0.1696784300
N    0.8204807547   1.1352592347   0.3456705966
C    2.8394841470  -2.8328702659  -0.1976969605
C    2.0288887259  -2.5624259475   1.0638375941
C   -2.2913223324  -0.4573618382   0.0187543137
C    3.7175516954  -1.6619581042  -0.6226705946
C   -2.6305675393   0.8646327576  -0.2621579286
C   -0.4321948999   0.8278989620   0.1580391834
C   -0.1620555515  -1.6511826967   0.5222547564
C   -3.2661115180  -1.4436939471   0.0213598789
C   -3.9219516214   1.2560859281  -0.5583812622
C    4.5241218086  -1.9594172400  -1.8771822138
C   -4.5677658209  -1.0554715297  -0.2743053612
C   -4.8943776112   0.2667857811  -0.5624488830
C    1.2345070720   2.4161255022   0.1728444494
C    3.1517647690   3.7712274701   0.2515484391
H    2.1615040189  -3.1088667508  -1.0114931903
H    3.4674784324  -3.7091962845  -0.0101033254
H    2.6971305976  -2.3062411254   1.8880928462
H    1.4854844640  -3.4561621054   1.3665063376
H    3.1021995308  -0.7735623872  -0.7953072708
H    4.3976668075  -1.4060032238   0.1961225884
H    1.4485002713  -0.5102637012   0.9008743510
H   -3.0433632157  -2.4740823667   0.2412769701
H   -4.1601202873   2.2886329420  -0.7750847459
H    5.1548004698  -1.1136862932  -2.1552960380
H    5.1772974446  -2.8229960786  -1.7364544247
H    3.8733543344  -2.1755022915  -2.7268479338
H   -5.3449252287  -1.8079152392  -0.2795913724
H   -5.9188017981   0.5288447222  -0.7903585365
H    3.0473575149   4.1618682552  -0.7614410827
H    2.7463369914   4.4956879745   0.9589932862
H    4.2075654255   3.6234934839   0.4648692235
H   -1.3764420242   2.6023055678  -0.3183935658
*