! 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    0.8957841716  -2.4238752524  -0.3504738154
O   -2.9045299955   2.4951065278  -0.5080332992
O    1.1341531330  -0.8727516717   1.2402163330
O    1.6750543942   0.6432757730  -1.3239800467
N   -0.3169921004   0.8944242648  -0.2902284709
N    1.0470635576   2.7539070213  -0.7881622654
N    0.7786536738   4.9115004427  -1.1384428794
C   -0.5471436751  -0.5392892401  -0.4403051405
C   -0.8785946932  -0.9728955712  -1.8676722012
C   -1.0638857346   1.5578656063   0.7799634109
C    0.6013452311  -1.2827062188   0.2399229886
C    0.8340438826   1.3562355417  -0.8191967401
C   -2.0582716665  -0.2120067354  -2.4536090128
C   -2.5133589175   1.6679567537   0.4860362372
C    1.9695922378  -3.2154806660   0.1818223228
C    1.5269591998  -4.1075262179   1.3245352197
C   -3.5969546176   1.0609283091   1.0276180484
C    2.6982599097  -4.9693669817   1.8004326570
C    2.2917706770   3.3291217547  -0.6575162410
C    0.1769936489   3.7635234542  -1.0937394261
C   -4.7322981928   1.5496918163   0.3125130148
C   -4.2469858995   2.4120435824  -0.6085758889
C    2.0970203471   4.6564975905  -0.8565623436
C    2.3297520454  -5.8419592526   2.9565037341
C    2.3649800369  -7.1689536927   2.9504296484
H   -1.4309275006  -0.7647170641   0.1670413813
H   -0.0105209060  -0.8770713037  -2.5200896094
H   -1.1277020683  -2.0345164332  -1.8371411379
H   -0.6265637929   2.5327565213   0.9892454931
H   -0.9490815498   0.9763469278   1.6968604114
H   -2.3265757201  -0.6318586629  -3.4234697529
H   -2.9416722073  -0.2799300459  -1.8152693535
H   -1.8353905324   0.8428059120  -2.6104729339
H    2.7954934559  -2.5680762904   0.4836695663
H    2.3083719333  -3.8164674509  -0.6618926507
H    0.7065920369  -4.7501209395   0.9949820241
H    1.1532209236  -3.5041688571   2.1552652830
H   -3.5891656884   0.3489211165   1.8378175971
H    3.5206493942  -4.3108396483   2.1006239883
H    3.0710989203  -5.5818951849   0.9749363601
H    3.1713161058   2.7570049146  -0.4170671093
H   -0.8673833610   3.5920609217  -1.2969404159
H   -5.7673008393   1.2908700645   0.4661705414
H   -4.7142568326   3.0198692184  -1.3668253461
H    2.8323545186   5.4442540370  -0.8119019484
H    2.0092921439  -5.3274299708   3.8589616060
H    2.0827312848  -7.7463854271   3.8220118871
H    2.6726856859  -7.7311948444   2.0756512190
*