! 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    1.9645483008   1.5257758111   0.5163213746
O   -0.5947771773   2.8374127580   0.6310264373
N    1.8281336740  -0.6556695056  -0.1439132412
N   -0.0707245263   0.5993951982   0.0992429240
N   -2.1291175920   1.1876382100   0.0974734201
N   -0.8020934086  -0.5048915115  -0.2581755959
N   -3.3009182167   1.9026556357   0.1525394187
C    3.2504195839  -1.0223038413  -0.1478455828
C   -3.2048011661  -0.9917712152  -0.5644384427
C   -2.0313213198  -0.1297669800  -0.2517311741
C    3.2978422058  -2.4807194365  -0.5950036857
C    4.0329677746  -0.1650410703  -1.1411409778
C    3.8463689551  -0.9038391206   1.2539173893
C    1.3374569585   0.5417548884   0.1811338607
C   -0.8673828561   1.6997003323   0.3224717480
C   -2.7795570593  -2.2616662478  -1.2886519233
C   -3.9856461072  -1.3113247613   0.7120086572
H   -3.8595061521  -0.4133605635  -1.2230360139
H    1.1622706416  -1.3696038556  -0.4014185936
H    2.7480436722  -3.1285614789   0.0910816351
H    2.8759218091  -2.6073356130  -1.5943507624
H    4.3290392407  -2.8317685358  -0.6260288739
H    3.5997503313  -0.2302000123  -2.1409123543
H    5.0650302605  -0.5147958452  -1.2029370269
H    4.0584287385   0.8834289096  -0.8486680319
H    3.2744881349  -1.4929568224   1.9731936570
H    4.8708892542  -1.2799596881   1.2568029156
H    3.8740864571   0.1272111338   1.6032942149
H   -2.1391451902  -2.8875270730  -0.6661875229
H   -2.2433325032  -2.0449372771  -2.2125414195
H   -3.6618898749  -2.8469301575  -1.5488295948
H   -4.3264239192  -0.4097176541   1.2200873454
H   -3.3789314851  -1.8890469589   1.4111384386
H   -4.8678878191  -1.9035924043   0.4668959071
H   -3.3943199847   2.3280504079   1.0670584561
H   -3.2815671253   2.6378621739  -0.5443800918
*