! 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   -2.7544242027   0.1026305917   1.0336569934
O    0.4790210047  -3.1563168650  -0.1704134714
O   -1.4572816136  -1.5583294719  -0.9385234067
O   -3.8643407376   0.4286576120  -0.8740595951
N   -0.3683504325   0.3246644483  -0.3783689909
C   -1.5607329397   1.0857882438  -0.7624322521
C    0.8333687964   1.0020798931  -0.0218120770
C    1.6065410153   1.5747608037  -1.0369537075
C    1.2136543822   1.0687704423   1.3210130963
C   -1.5122390634   2.5291544294  -0.2735546586
C   -0.4238943123  -1.0161287639  -0.5702074767
C   -2.8446293594   0.4641489538  -0.2324770937
C    2.7848048966   2.2240708708  -0.6831886324
C    2.4016248137   1.7234277229   1.6338384778
C    1.2006119557   1.4772886387  -2.4768449171
C    0.4092300342   0.4165017032   2.4025232430
C    3.1804102791   2.2976587836   0.6428767682
C    0.7717533389  -1.8416773916  -0.3191578065
C    2.1252145243  -1.6760166011  -0.2695810727
C    2.6817519281  -2.9677746737  -0.0751655413
C    1.6294930005  -3.8196842832  -0.0157652910
C   -3.9124476582  -0.4727640979   1.6347272413
H   -1.6599336540   1.0864686190  -1.8517281896
H   -1.4108635620   2.5950562597   0.8093702195
H   -0.6953396090   3.0868088859  -0.7278960771
H   -2.4366733560   3.0320182855  -0.5579888293
H    3.4001457594   2.6692101873  -1.4553708682
H    2.7179306659   1.7824655205   2.6680576803
H    0.9194959755   0.4622806704  -2.7612229889
H    0.3511080738   2.1239484348  -2.7084476852
H    2.0174543823   1.7839399844  -3.1286581590
H   -0.6551815297   0.6240349142   2.3148170926
H    0.5248605144  -0.6700188907   2.3798181108
H    0.7382150805   0.7545150233   3.3843727227
H    4.1012404773   2.8030124103   0.9044781306
H    2.6814044405  -0.7602382218  -0.3697525796
H    3.7252979830  -3.2219320258   0.0113606934
H    1.5578622212  -4.8856039260   0.1321643942
H   -3.6245654846  -0.7324611826   2.6496940523
H   -4.2263581047  -1.3752626333   1.1099157137
H   -4.7416650382   0.2341724788   1.6671436226
*