! 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    0.9268856119   0.6658154289  -1.2294685997
N    0.8836814703  -2.1524420017  -0.5963426940
N    0.8452456276  -2.9903270328   0.4418846931
N   -1.0547391322  -3.1178064687  -0.7335233331
C    3.2695223163   0.8405760167  -0.4041863876
C    1.8877336468   0.1138245478  -0.3760535926
C    3.9800958766   0.2379289238   0.8203873970
C    1.5712759685   0.1321534405   1.1044974445
C    2.8692160702  -0.1068775343   1.8332662418
C    2.0456844252  -1.3369976100  -0.8571442979
C    3.0558907575   2.3410579999  -0.1880576878
C    4.0483034383   0.6404202405  -1.6972433767
C    0.4183140293   0.3820956124   1.7177650488
C   -0.2567454702  -2.2333490418  -1.2847516523
C   -0.3325936790  -3.5489379020   0.3189704409
H    4.7116006246   0.9339503950   1.2337024918
H    4.5387018396  -0.6573138446   0.5390117388
H    2.9267798880   0.4983310985   2.7383598099
H    2.9390214683  -1.1499073100   2.1526778707
H    2.8892902742  -1.8329534588  -0.3822238846
H    2.2288276095  -1.3430446847  -1.9319532648
H    4.0210199695   2.8445030301  -0.1090235105
H    2.5274037659   2.8083500365  -1.0220659444
H    2.5048204261   2.5646831998   0.7287545746
H    3.4838207510   0.9888132086  -2.5648678644
H    4.9795067797   1.2101995023  -1.6684230178
H    4.3226561937  -0.4011533945  -1.8705733346
H    0.6481841600   1.5265699248  -0.9031716994
H   -0.4551692834  -1.6475333829  -2.1676283611
H   -0.6818992849  -4.2979715816   1.0130314911
C   -0.8996044830   0.6854950089   1.1150689570
C   -3.4147805922   1.2698463238   0.0723377697
C   -1.8900267151  -0.2903287641   1.0502145844
C   -1.2118485073   1.9709905539   0.6757858737
C   -2.4583907047   2.2693231438   0.1459572090
C   -3.1429296654  -0.0103476154   0.5272460164
H   -1.6842630647  -1.2893136110   1.4102843942
H   -0.4771376847   2.7640539945   0.7569946196
H   -2.6767705111   3.2713077816  -0.1980777429
H   -3.8946228899  -0.7864553003   0.4755263744
Cl  -4.9770675327   1.6292151951  -0.5891092859
H    0.4267603761   0.3674633022   2.8061027316
*