! 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    0.9511314802   2.4348023952   0.3409694678
N   -1.1185017032   1.5503318683   0.1789130596
N   -1.5638901419  -0.7228800210   0.3872549833
N   -3.2722049512   0.7638743677  -0.0301731274
C    2.1599238910  -0.1391156655   0.8392149833
C    2.9269055301  -0.3180908270  -0.4731426389
C    0.6920342341   0.0892884022   0.6336796246
C    4.4157686947  -0.5575830012  -0.2610551921
C   -0.2435390900  -0.9154711681   0.6184254212
C    0.2493106608   1.4285959877   0.3835754166
C   -1.9754318093   0.5001372674   0.1785762699
C    5.1720146895  -0.7672314410  -1.5640922702
C    0.1480084147  -2.3400394701   0.8698167517
C   -4.2819751799  -0.2610779165  -0.1911843451
C   -4.3971319037  -0.7748395225  -1.6168973206
H    2.5865191794   0.7063065893   1.3855436078
H    2.3233117421  -1.0148170740   1.4721390856
H    2.4989574670  -1.1563269699  -1.0336370957
H    2.7842542099   0.5697735591  -1.0968049909
H    4.8460235901   0.2910029022   0.2800493805
H    4.5539668497  -1.4303984147   0.3851371787
H   -1.4644767466   2.4864194768   0.0060882217
H    4.7861739710  -1.6291933056  -2.1124454659
H    6.2348398793  -0.9407951457  -1.3879812086
H    5.0869058459   0.1022402468  -2.2192389874
H    0.5156850785  -2.4740272329   1.8893421710
H    0.9438766719  -2.6674294144   0.1995482420
H   -0.7058699716  -3.0001632674   0.7326715514
H   -3.5360775016   1.7072587260  -0.2645428749
H   -4.0612935408  -1.0800921130   0.4911713455
H   -5.2297654380   0.1716883205   0.1282589472
H   -4.6280200637   0.0343599007  -2.3117368552
H   -3.4724047449  -1.2518794605  -1.9431997287
H   -5.1976532536  -1.5124404802  -1.6887325361
*