! 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    0.1178956927   1.9088514277  -0.0849822884
O   -0.3487712926  -2.6480786955   0.0461388097
N   -0.1697377727  -0.3603244008  -0.0063552887
N    1.7098448434  -1.7509990908   0.0034360348
C   -1.6432863778  -0.2350779044   0.0091704952
C   -2.1696307117   0.4481497903   1.2705983071
C   -2.2054546499   0.3781964782  -1.2727265726
C   -3.6961614732   0.4154500027   1.2772088295
C   -3.7315422734   0.3467973552  -1.2345702106
C   -4.2705979125   1.0407410812   0.0111580782
C    2.0370449851   0.5755629409  -0.0353507881
C    2.5279060789  -0.6733988668  -0.0176480661
C    0.6217335031   0.7984727146  -0.0467051090
C    3.1298637626   1.5963935384  -0.1030832039
C    4.0169242158  -0.7117171663  -0.0669832842
C    4.3842402639   0.7568287618   0.2227524139
C    0.3442812931  -1.6474556703   0.0159155670
H   -2.0054282692  -1.2616509161   0.0424685072
H   -1.8340418584   1.4837166972   1.3264320767
H   -1.7798487195  -0.0663960497   2.1528930149
H   -1.8404157093  -0.1845437280  -2.1360357016
H   -1.8711227276   1.4083967096  -1.3947647565
H   -4.0675441623   0.9365598429   2.1627390284
H   -4.0431136858  -0.6204254707   1.3601825118
H   -4.0798555713  -0.6917526565  -1.2505632999
H   -4.1280328543   0.8192009360  -2.1363728498
H   -5.3623821537   0.9935939472   0.0278684125
H   -4.0060785591   2.1035438831  -0.0212921091
H    3.1875567818   2.0458029350  -1.0988139880
H    2.9929307029   2.4163869982   0.6035381926
H    4.4459917000  -1.4110926689   0.6526043832
H    4.3419697299  -1.0362791901  -1.0601175461
H    5.2584409742   1.0784624893  -0.3408693151
H    4.6243674894   0.8619277926   1.2812781407
H    2.0882469506  -2.6877938377   0.0216480710
*