! 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   -3.2918401903  -1.3287166179   0.2690480725
O   -0.2124438515   3.3647483261  -0.5753628593
O   -1.6968836047   1.3462811461   0.4549323696
O   -2.1169015176  -0.7993228604  -1.5475262961
N   -0.0147192627  -0.1333897973   0.2764985675
C   -0.9328705599  -1.2468819194   0.5049647282
C    1.3858030190  -0.3970887930   0.2428592004
C    2.1692191930  -0.1709445035   1.3791814416
C    1.9469569208  -0.8917425995  -0.9450009678
C   -1.2117604157  -1.5012106402   1.9776592389
C   -0.5153457168   1.1230368801   0.2521302311
C   -2.1697670854  -1.0651040160  -0.3741125620
C    3.5290578378  -0.4759477418   1.3133877312
C    3.3034950565  -1.1871845873  -0.9649955263
C    1.6391050669   0.4126742488   2.6571376144
C    1.1216916468  -1.0667984068  -2.1831898416
C    4.0910069782  -0.9872721381   0.1596648146
C    0.4585502837   2.2532947051  -0.0696946598
C   -4.5073515269  -1.2312208968  -0.4710533340
C   -0.6321919532   3.1948564486  -1.9110280200
H   -0.4374284603  -2.1367596083   0.1032141133
H   -0.2743302115  -1.6856053989   2.5015086385
H   -1.7176986785  -0.6647854587   2.4571629344
H   -1.8232878533  -2.3931502696   2.1062319245
H    4.1493486802  -0.3055586603   2.1854229940
H    3.7513709869  -1.5668985419  -1.8751612191
H    2.0978378880   1.3839739015   2.8524704062
H    0.5619791338   0.5549663548   2.6676728294
H    1.8895846086  -0.2270426751   3.5044766326
H    0.5124453965  -0.1877411943  -2.3967615671
H    1.7643199623  -1.2463189156  -3.0444363684
H    0.4369517675  -1.9135972518  -2.1088271772
H    5.1477077357  -1.2199726567   0.1287850322
H    0.9570931427   2.5619977065   0.8547282714
H    1.2457503265   1.9119709671  -0.7542694378
H   -4.5308879748  -1.9373744844  -1.3014387813
H   -4.6614971565  -0.2208948375  -0.8510660281
H   -5.3028466215  -1.4748389842   0.2280209447
H    0.2137233286   2.9925613309  -2.5788969980
H   -1.1031107274   4.1241514241  -2.2300518146
H   -1.3623878412   2.3876108326  -2.0305321933
*