! 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    0.8198645876   0.3920637113  -0.7062350168
O   -5.6197253019  -0.6262779857  -0.0810966761
O    2.1244870619   1.0368303316   1.0248504849
O   -3.5709323454  -1.4628644592  -0.4982875280
N   -3.8972365626   0.7227410862   0.0998098521
N    2.8601248456  -0.4022522665  -0.5989369770
C   -2.6170989450   1.2664278628   0.0182943785
C   -0.2480841567   1.1792314721  -0.3374057439
C   -1.4669311385   0.5251809476  -0.2483480839
C   -2.5057425419   2.6439214994   0.2218653569
C   -0.1235008608   2.5462282083  -0.1577069214
C   -1.2740506487   3.2652105896   0.1330460796
C    4.1796203141  -0.6560018199  -0.2074264414
C    4.7687007005  -1.8252832696  -0.6900493833
C    4.9327617177   0.2112430002   0.5830462678
C    1.9647694572   0.4052836191   0.0112473009
C   -4.2955497179  -0.5444027505  -0.1869867091
C    6.0875951776  -2.1240100722  -0.3903053311
C    6.2517914135  -0.1048891769   0.8812742773
C    6.8394711365  -1.2662592680   0.4017666928
C   -6.2361783292  -1.9021634961  -0.3065187788
C   -6.1837955314  -2.7855857990   0.9172338648
H   -1.5010409606  -0.5416988692  -0.4025547314
H   -3.3892749514   3.2327372057   0.4375950899
H    0.8269644142   3.0511108021  -0.2540952328
H   -1.2091773023   4.3348065835   0.2828146391
H   -4.6318848480   1.3767367905   0.3295027465
H    2.5228286651  -0.9359048995  -1.3875241110
H    4.1906283923  -2.5053808686  -1.3054427242
H    4.5159392604   1.1329946549   0.9581916134
H    6.5250572324  -3.0356248194  -0.7766734470
H    6.8264929721   0.5795593788   1.4926654998
H    7.8699576304  -1.4980369740   0.6381944131
H   -5.7869573530  -2.3925124939  -1.1712509328
H   -7.2675617042  -1.6625402953  -0.5611824344
H   -6.7317845610  -3.7068447424   0.7135464418
H   -6.6529850698  -2.3041902808   1.7760748803
H   -5.1638912242  -3.0604376561   1.1853649235
*