! 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    1.1265112002   2.0786499507   1.1817788672
N   -0.8446674024   1.4226851749   0.3123662866
N   -1.3721697880  -0.7887601199  -0.1661028728
N   -2.8888091662   0.8902238300  -0.6026996918
C    2.1727735233  -0.6240916275   1.2007877785
C    3.1776156492  -0.8321934041   0.0634727969
C    0.7932395023  -0.2397985633   0.7463594402
C    3.3725163618   0.3804347780  -0.8373789028
C   -0.1353346897  -1.1328656485   0.2697516246
C    0.4318862080   1.1490643777   0.7822705364
C   -1.6979393366   0.4755149728  -0.1475586193
C    4.4150556679   0.1374434881  -1.9186451805
C    0.1594536177  -2.5970875340   0.1679205823
C   -3.9518793897  -0.0104911543  -0.9971567950
C   -4.8305523345  -0.4496982626   0.1618630101
H    2.5535922054   0.1484260549   1.8717259181
H    2.1307827766  -1.5383192655   1.7984535334
H    4.1404985986  -1.1115148934   0.5040317134
H    2.8693876993  -1.6864080253  -0.5486719096
H    2.4214038615   0.6457707792  -1.3078459088
H    3.6644390614   1.2437851513  -0.2330717633
H   -1.1265955116   2.3952392652   0.3241837053
H    5.3964971817  -0.0712251911  -1.4875090023
H    4.5234142980   1.0037234369  -2.5733677444
H    4.1463521990  -0.7147367054  -2.5470064019
H   -0.7648220038  -3.1719317813   0.1920547469
H    0.8104240845  -2.9538687912   0.9645508343
H    0.6550696641  -2.8228283417  -0.7792167251
H   -3.1370068908   1.8579680230  -0.4723860909
H   -4.5504362061   0.5088777098  -1.7454219075
H   -3.5098148851  -0.8749449236  -1.4887236445
H   -5.6252118941  -1.1063512598  -0.1949449998
H   -4.2564421853  -0.9958510543   0.9108333062
H   -5.3008962920   0.4060960367   0.6485756609
*