! 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   -3.6933330126   0.5981524429  -0.5998098309
O    2.8573642512  -1.6479940872  -1.6448355152
N    0.7392378638  -1.2036035338  -1.0682129802
C   -3.8267006859   0.8597251770  -2.0007269261
C   -2.5602829257   0.0774044881  -0.0956537666
C   -0.3309399874  -0.8434493624  -0.2332720908
C    2.5741902804  -0.5270933774   0.4127601766
C   -1.4507987133  -0.2853338494  -0.8518011984
C    2.3841228603   0.8305431981   0.6882424682
C   -5.3143521550   0.9253809073  -2.2781978947
C   -3.1188027427   2.1484996525  -2.3794758879
C    2.0749624904  -1.1656440351  -0.8411653745
C   -2.5323697115  -0.0978944057   1.2900829249
C   -0.3171451393  -1.0551863875   1.1386086420
C    3.3150253136  -1.3307186237   1.2754479961
C   -1.4194228259  -0.6594229365   1.8851158801
C    2.9258831720   1.3352439959   1.8689134671
C    1.6312192322   1.7455964974  -0.2320510370
C    3.8248032116  -0.8139229987   2.4544053960
C    3.6241261450   0.5263961570   2.7519028200
H   -3.4073058933   0.0224399351  -2.5696483506
H   -1.4216019888  -0.1349643491  -1.9227983493
H    0.4851047368  -1.5367846671  -1.9896310605
H   -5.7887835903   1.7382251049  -1.7253435488
H   -5.4857256719   1.0990283421  -3.3406564885
H   -5.8099084069  -0.0087837011  -2.0115139495
H   -2.0518273421   2.1250750224  -2.1543285041
H   -3.5551958700   3.0008649813  -1.8557689124
H   -3.2193901983   2.3256153633  -3.4508265925
H   -3.3891996095   0.1933612265   1.8842052703
H    0.5216015987  -1.5274127699   1.6275658653
H    3.4714981736  -2.3750250318   1.0347558724
H   -1.4129048476  -0.8130249984   2.9564235312
H    2.7977792889   2.3862082759   2.0991865886
H    0.5551139181   1.6988043771  -0.0504878466
H    1.9361182567   2.7801462749  -0.0771588468
H    1.7953770359   1.5129605894  -1.2841535138
H    4.3809248837  -1.4502212458   3.1300849629
H    4.0241370309   0.9471089543   3.6655841288
*