! 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    0.2802311666  -1.7584740292   0.4362523298
O   -2.6145746903   0.2847849290  -1.6102519653
O    0.1539853139  -0.7797490381  -1.5632842239
O   -0.4309093117   3.8412666883  -0.7889608717
N   -0.2786657629   1.6565255781  -0.1851862009
N    1.5192309602   2.7805608584  -1.2167825989
N    3.4964214019   3.6083495155  -1.7196632038
C    0.5583719883   0.5970124045   0.3677142735
C    0.4863430842   0.5295563989   1.8951018086
C   -1.6965834583   1.6278154897   0.1853360243
C    0.2828251296  -0.7169598132  -0.3660885519
C    0.1943869542   2.8056966846  -0.7149003506
C    0.8222922698   1.8617844423   2.5466493816
C   -2.3758619583   0.3982487461  -0.2855676911
C    0.0397087060  -3.0563504996  -0.1313817342
C   -0.2996164821  -4.0083003583   0.9915480400
C   -2.8199650488  -0.7094305512   0.3573651761
C    0.8255344414  -4.2129134922   2.0058540671
C    2.1354973791   1.8508465097  -2.0288320241
C    2.3870941628   3.8249513948  -1.0834294631
C   -3.3584220079  -1.5680675980  -0.6472682924
C   -3.1964494902  -0.9111157325  -1.8188427784
C    3.3474379667   2.3861062071  -2.3232851473
C    0.4489245791  -5.2116541096   3.0529668168
C    0.3859780119  -4.9627445952   4.3554881452
H    1.5990184677   0.8268269649   0.1264266509
H   -0.4865231486   0.1725722640   2.2387427824
H    1.2129731035  -0.2143103013   2.2229361931
H   -2.1781771209   2.5091188732  -0.2334180932
H   -1.8098044172   1.6994837301   1.2682909170
H    0.8628293709   1.7505956067   3.6302239249
H    1.7969683109   2.2322870569   2.2228659605
H    0.0851869267   2.6375665074   2.3343826122
H    0.9331336128  -3.3818158980  -0.6709839916
H   -0.7849778377  -3.0014254184  -0.8435802584
H   -0.5483590133  -4.9614636787   0.5203730309
H   -1.2073889577  -3.6688332919   1.4983347228
H   -2.7669012837  -0.8951627787   1.4183807829
H    1.0924369545  -3.2654876890   2.4796856849
H    1.7169834420  -4.5646967364   1.4745938720
H    1.6548466624   0.9410325891  -2.3444326849
H    2.1499883395   4.6959601279  -0.4929027809
H   -3.8008484703  -2.5415831308  -0.5120283290
H   -3.4482156020  -1.1561719052  -2.8384941440
H    4.1187752735   1.9589535119  -2.9447251658
H    0.2016028298  -6.2085979205   2.6957053442
H    0.0956538257  -5.7267318829   5.0658913439
H    0.6187925066  -3.9851438390   4.7634129034
*