! 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    0.1028583924  -0.9124552333   0.9353309471
O   -1.7245256810  -0.5664746527  -1.7060806072
O   -1.0842424831  -0.4197720003   2.7604401517
O    0.0968428824   2.6955934687  -1.9267798948
N   -0.4742945151   1.6168390395  -0.0099908007
N    1.7663238394   2.1700414743  -0.4916938435
N    3.7935798632   1.4446447051  -0.0313477414
C   -0.2119566584   1.3761318148   1.4049365020
C   -0.9552652389   2.3471214003   2.3221117083
C   -1.8678363330   1.4993422859  -0.4414688469
C   -0.4745490315  -0.0806116559   1.7793809459
C    0.3981097527   2.1814050781  -0.8729488467
C   -0.6956009692   3.7992787778   1.9572611028
C   -2.2899403947   0.0965179228  -0.6740235380
C   -0.0540865827  -2.3223646966   1.1588925327
C    0.6600742387  -3.0496509384   0.0421340929
C   -3.1910899504  -0.7010412994  -0.0512380965
C    0.3840844848  -4.5433519655   0.1140947189
C    2.6125429958   3.2422913477  -0.6627568747
C    2.5432124161   1.1086834249  -0.1234854066
C   -3.1746314884  -1.9464642544  -0.7508850938
C   -2.2646460546  -1.8028362129  -1.7408624669
C    3.8490943809   2.7763076180  -0.3518444828
C    1.0262326553  -5.3651088618  -0.9580738038
C    1.7892416270  -4.9214170681  -1.9502910340
H    0.8520964776   1.5344742107   1.5898457092
H   -2.0278652747   2.1457899784   2.3374450891
H   -0.6027410209   2.1621581930   3.3376032713
H   -2.0060885680   2.0955385859  -1.3414660238
H   -2.5222687764   1.9344169748   0.3137250817
H    0.3725027911   4.0262119556   1.9367688544
H   -1.1138765105   4.0697969120   0.9865200003
H   -1.1519568786   4.4596373232   2.6948041963
H   -1.1186103446  -2.5679558206   1.1685399711
H    0.3654152181  -2.5885980997   2.1323109658
H    1.7354123222  -2.8621453335   0.1077339182
H    0.3232015556  -2.6582765944  -0.9210002364
H   -3.7942069572  -0.4373152246   0.8029951505
H   -0.6973362578  -4.7194231779   0.0768338051
H    0.6992739461  -4.9382837656   1.0865501467
H    2.2611247091   4.2154640296  -0.9605788579
H    2.1364104197   0.1225797222   0.0330004621
H   -3.7593574475  -2.8270737496  -0.5394585713
H   -1.9177896025  -2.4617089898  -2.5208274991
H    4.7764203924   3.3269046708  -0.3406528379
H    0.8267392072  -6.4310886941  -0.8960114099
H    2.2008568214  -5.6044426806  -2.6825462606
H    2.0332433017  -3.8745729966  -2.0848930461
*