! 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    4.0301618770  -0.5436650226  -0.1201289841
O    3.6903660307   1.6951757494   0.2066789966
O   -1.3745695271   2.4685737307   0.2378100456
O   -4.5089795485  -0.2584981624  -0.3982860606
O   -4.0709274311   1.7596083641   0.4307775207
N   -0.7120435195  -1.5099054699  -0.3520504881
C    0.3779668654  -0.6663449607  -0.1977504115
C    0.1541584980   0.7020953311   0.0071946701
C    1.6892533476  -1.1847090102  -0.2555592955
C   -0.5400195103  -2.9583472413  -0.5037947925
C    2.7107987035  -0.2934414006  -0.1058037799
C    2.4972209875   1.0693884257   0.0939885018
C    1.2435158676   1.5889496242   0.1528299587
C   -1.9524901252  -1.0264688645  -0.2773385723
C   -1.2011175943   1.2643828158   0.0801393629
C   -2.2632332439   0.2915569403  -0.0642587594
C    4.6961232397   0.7018952512   0.0740809518
C   -0.3069314571  -3.6622174848   0.8188427313
C   -3.6729529278   0.6953384203   0.0234421029
H    1.9013946015  -2.2318941911  -0.4092338079
H   -1.4443726222  -3.3367691233  -0.9759139817
H    0.2669911786  -3.1466441605  -1.2095044065
H    1.0664885814   2.6441893782   0.3072592472
H   -2.7299724267  -1.7682628252  -0.3912941857
H    5.3248662453   0.9193999078  -0.7920178347
H    5.2985854169   0.6565561640   0.9838037819
H   -1.1535520746  -3.5203429452   1.4909842525
H   -0.1936082569  -4.7320297482   0.6435263774
H    0.5914028581  -3.3126787070   1.3269893115
H   -5.4223937181   0.0404851401  -0.2781806415
*