! 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   -2.6680381414  -0.4422429041   0.8721770667
O    1.4697868006  -1.7235142484   0.4851650994
O   -1.3822480151  -1.5205712116  -1.5765564308
O   -3.8132984765   1.3689920749   0.2716179613
N   -0.4649834871   0.2185937245  -0.4515983339
C   -1.6636489115   1.0133523322  -0.7280914215
C    0.7368029073   0.8696759932  -0.0353465785
C    1.7020466301   1.1667792082  -1.0019321464
C    0.9147646033   1.2150257886   1.3065524903
C   -1.4092131637   2.5137533798  -0.7346886294
C   -0.4708916426  -1.0674333643  -0.9002685546
C   -2.8273418831   0.6765524116   0.1995002930
C    2.8691561628   1.8084238465  -0.5973625833
C    2.0893273221   1.8649903070   1.6698890657
C    1.5097568829   0.8084600927  -2.4459877216
C   -0.1132859692   0.8921306149   2.3470562354
C    3.0629260725   2.1568356826   0.7281194565
C    0.6497329158  -1.9574625059  -0.5612386486
C    0.9994707211  -3.1242118220  -1.1684788688
C    2.1158129986  -3.6268744105  -0.4502589141
C    2.3484772463  -2.7345161331   0.5443580070
C   -3.7087675056  -0.8290014202   1.7682527537
H   -2.0200694714   0.7470440000  -1.7292227347
H   -0.6315545418   2.7726756343  -1.4505084284
H   -2.3158384341   3.0252359303  -1.0486036051
H   -1.1224146649   2.9072876289   0.2392406598
H    3.6273214144   2.0459036612  -1.3337107216
H    2.2450251760   2.1386991080   2.7063802270
H    0.5002822252   1.0180126747  -2.8012491358
H    2.1990563649   1.3696131140  -3.0755083129
H    1.7012125833  -0.2508598551  -2.6326798340
H    0.2765722738   1.0910334823   3.3445015309
H   -1.0148130398   1.4992905634   2.2365633059
H   -0.4168913588  -0.1531452663   2.3096162257
H    3.9728316627   2.6606703284   1.0283309546
H    0.5220652229  -3.5655088286  -2.0281291222
H    2.6691119772  -4.5308500982  -0.6449183413
H    3.0755784390  -2.6961760579   1.3397600552
H   -3.8845716154  -0.0683226230   2.5282130048
H   -3.3646934122  -1.7400846397   2.2486295006
H   -4.6381380289  -1.0318421781   1.2374391026
*