! 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    0.1109776966  -0.8506296520   0.8749392995
O   -1.7817031332  -0.5754846756  -1.7034142012
O   -1.0309619288  -0.3622893287   2.7289251534
O    0.0669003962   2.7245314707  -2.0082918592
N   -0.4954234459   1.6625730533  -0.0792531416
N    1.7404600642   2.2340170062  -0.5662336034
N    3.7744448278   1.5391539006  -0.0903442430
C   -0.2295394408   1.4375457938   1.3369659857
C   -0.9933292079   2.3997330073   2.2472426343
C   -1.8888569678   1.5332010570  -0.5084926527
C   -0.4559608553  -0.0206626169   1.7281083241
C    0.3729221411   2.2258117652  -0.9482461660
C   -0.7638161750   3.8537538279   1.8694844858
C   -2.3199107882   0.1243802296  -0.6816956621
C   -0.0135223704  -2.2600852461   1.1184609812
C    0.6990606965  -2.9884836433   0.0013518253
C   -3.2082663612  -0.6483572606  -0.0110560921
C    0.4555635457  -4.4947520821   0.0919306454
C    2.5756408682   3.3117464201  -0.7564710784
C    2.5284227234   1.1873461396  -0.1787560432
C   -3.2130685210  -1.9158468082  -0.6689942912
C   -2.3243207268  -1.8101855991  -1.6828779424
C    3.8167942524   2.8646955818  -0.4370577780
C    1.1125851805  -5.2320034960  -1.0305321707
C    2.0422164600  -6.1684676880  -0.8881658983
H    0.8300673849   1.6230471998   1.5213842206
H   -2.0616042026   2.1747116134   2.2656776947
H   -0.6367435619   2.2306953314   3.2641989352
H   -2.0205402766   2.0887856155  -1.4350138915
H   -2.5442206820   2.0056734550   0.2229423922
H    0.2995815016   4.1022724054   1.8504007198
H   -1.1830065050   4.1050175615   0.8937847745
H   -1.2367965631   4.5122215499   2.5979035711
H   -1.0723249810  -2.5281075900   1.1460545597
H    0.4254383317  -2.5064424727   2.0884003484
H    1.7724123221  -2.7859910238   0.0463179258
H    0.3431919376  -2.6183312710  -0.9637076140
H   -3.7910279031  -0.3535682236   0.8471283371
H   -0.6240435964  -4.6795122943   0.0579440544
H    0.8104441862  -4.8796141518   1.0517565270
H    2.2128705867   4.2753011941  -1.0717666538
H    2.1337929782   0.1992790116  -0.0055591612
H   -3.7968959533  -2.7855788811  -0.4149184368
H   -2.0000078159  -2.4969132556  -2.4485228774
H    4.7391045232   3.4238173528  -0.4345463055
H    0.7918052063  -4.9547088751  -2.0319148866
H    2.4810370427  -6.6654434518  -1.7443404590
H    2.3955788597  -6.4814197020   0.0881729516
*