! 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    0.5667196975  -1.7664428824   0.3400307808
O   -2.5741020784   0.2429568475  -1.5110093151
O    0.1993266038  -0.7036294006  -1.5843956865
O   -0.4928944808   3.8374514435  -0.6513852288
N   -0.2387028756   1.6485923084  -0.0996628715
N    1.4930812813   2.8672015700  -1.1344320014
N    3.2392754492   2.4683802177  -2.4154631243
C    0.6476453387   0.6001571268   0.3909442508
C    0.6000413049   0.4588521058   1.9150460807
C   -1.6455889221   1.5523132368   0.3019467245
C    0.4170779594  -0.6895204588  -0.3987190700
C    0.1759067531   2.8279500211  -0.6105609810
C    0.9016548188   1.7703560178   2.6231791816
C   -2.2895482435   0.3131400658  -0.1928032875
C    0.4083970096  -3.0493204722  -0.2865869408
C    0.5828665719  -4.1088329554   0.7754748553
C   -2.6561524260  -0.8405987735   0.4184217390
C   -0.4608192359  -4.0458287959   1.8917789368
C    2.3312150803   3.9518088746  -1.0012037295
C    2.0929318938   2.0106239157  -2.0149053114
C   -3.1931288633  -1.6818892107  -0.6018576304
C   -3.1088497076  -0.9695171729  -1.7489104834
C    3.4059219035   3.6727037342  -1.7809742928
C   -0.2861931079  -5.1617049752   2.8714742219
C    0.0095773605  -5.0059409262   4.1562684014
H    1.6753452136   0.8847863255   0.1520391578
H   -0.3562367484   0.0545210277   2.2524676727
H    1.3539845823  -0.2753869891   2.1992544142
H   -2.1699317162   2.4275224382  -0.0760401169
H   -1.7335563932   1.5849433612   1.3890480278
H    1.8630375974   2.1824329535   2.3089359109
H    0.1414283078   2.5339026435   2.4505799178
H    0.9542629294   1.6118726516   3.7005034228
H    1.1553233978  -3.1664833689  -1.0749298221
H   -0.5818100158  -3.1096846790  -0.7455111360
H    1.5891530413  -4.0472181749   1.1988757352
H    0.5216689256  -5.0757526048   0.2682818183
H   -2.5544447333  -1.0683149613   1.4675100733
H   -1.4594303899  -4.1078379154   1.4446471821
H   -0.4046336078  -3.0874056457   2.4121590836
H    2.1002411642   4.7872433404  -0.3627123356
H    1.6217010658   1.0970583198  -2.3412533326
H   -3.5859133160  -2.6796989303  -0.4927752914
H   -3.3903969683  -1.1825536085  -2.7678104691
H    4.2914810347   4.2720933769  -1.9209911086
H   -0.3989834443  -6.1683740214   2.4763956095
H    0.1396129502  -5.8551752109   4.8152971688
H    0.1363451271  -4.0243713309   4.5996067797
*