! 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   -0.4893817472  -1.8829431453   0.9874769637
O   -2.7504217003   0.6098769644  -1.7465206520
O   -0.2835000716  -0.8805967784  -0.9981363295
O   -0.2415045618   2.4803012095  -1.9212551643
N   -0.4999386469   1.5895825922   0.1624545167
N    1.6052863397   1.6868588564  -0.8624487485
N    3.5779444651   0.9448229998  -1.4899882154
C   -0.0917915376   0.4551576373   0.9835396845
C   -0.6385203540   0.5042064851   2.4066840360
C   -1.9305875433   1.9016705628   0.1459979720
C   -0.3318526480  -0.8381090824   0.2053037646
C    0.2083753161   1.9443166183  -0.9373339260
C   -0.2311033212   1.7737143049   3.1384497146
C   -2.7633160102   0.8053060195  -0.4112875205
C   -0.5173279334  -3.1901380027   0.3926746287
C    0.8336954713  -3.6638877119  -0.1095386794
C   -3.5258300146  -0.1467838930   0.1831313117
C    1.9769773838  -3.5386475116   0.9016361252
C    2.4884280087   2.0507584301   0.1288687754
C    2.3218738500   1.0318489109  -1.8146165738
C   -4.0048601445  -0.9902417410  -0.8632837641
C   -3.4940789728  -0.4814830069  -2.0077634868
C    3.6970293147   1.5862231119  -0.2851854018
C    2.5623665345  -2.1641832176   1.0041847591
C    2.7016350085  -1.4669972533   2.1259696399
H    0.9953472295   0.4804961193   1.0946011351
H   -1.7220545885   0.3768633351   2.4328695114
H   -0.2261478239  -0.3522490384   2.9402828762
H   -2.0764045123   2.8316233029  -0.4012101462
H   -2.2551177750   2.0958915456   1.1669272423
H   -0.6221528757   2.6789351032   2.6722983142
H   -0.5988811671   1.7519470353   4.1642862783
H    0.8551972292   1.8718945546   3.1861586510
H   -1.2627452748  -3.2206482124  -0.4051362320
H   -0.8649357146  -3.8352392841   1.1988810439
H    1.1027514704  -3.1625941910  -1.0413978505
H    0.6968576040  -4.7178344088  -0.3651881351
H   -3.7243684425  -0.2406118288   1.2390901787
H    2.7749913349  -4.2150568646   0.5789422677
H    1.6574789632  -3.8909452282   1.8867958743
H    2.1919564301   2.6247625305   0.9910049912
H    1.8607107431   0.6275066264  -2.7019087052
H   -4.6423983462  -1.8545506750  -0.7719671485
H   -3.5831628546  -0.7695573062  -3.0432300623
H    4.6467577414   1.6865111794   0.2164809723
H    2.9245865768  -1.7332257310   0.0727932299
H    3.1749659779  -0.4925981734   2.1318072115
H    2.3631412688  -1.8481898195   3.0831361259
*