! 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 4
end
%cpcm
    smd    true
    smdsolvent "1-OCTANOL"
end
*xyz 0 1
O    3.7964242125   0.5239317704  -0.0000549392
O    2.4521291827  -1.2633716180  -0.0017995580
N   -0.1862900550  -0.7004761252   0.0007078301
N   -0.6411620685   1.4213067367   0.0001912896
N    1.6315612652   0.9052992447   0.0005727608
C   -1.5612228899  -0.5968043886   0.0006564998
C   -1.8544998836   0.7687489833   0.0000711124
C    0.3786987881   0.5304091880   0.0003108915
C   -2.5604288076  -1.5521840958   0.0007696197
C   -3.1592900215   1.2272298315  -0.0002867159
C   -3.8724864260  -1.0944956826   0.0004131576
C   -4.1657047021   0.2687914804  -0.0000228197
C    2.5874960094  -0.0466057344   0.0008769995
C    4.9202706794  -0.3439058900  -0.0004035187
H    0.3626806040  -1.5476237362   0.0008355149
H   -2.3313392957  -2.6093057797   0.0005441920
H   -3.3884212657   2.2843692121  -0.0000759933
H   -4.6820517695  -1.8119635880  -0.0000464458
H   -5.1987888082   0.5896422900  -0.0001708767
H    5.7967116505   0.3000827739   0.0015796613
H    4.9510232796  -0.9761876513  -0.8892421750
H    4.9490633326  -0.9782929377   0.8870334193
H   -0.4975599364   2.4194104873  -0.0021175796
*