! 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    1.4024210883  -1.9058727879  -0.0030713335
O    0.0803486187   2.1276483570  -0.0054359308
N    2.1509435555   0.2488203875  -0.0025915647
N   -0.1103673907  -0.2119780951  -0.0013748526
N   -1.9155654426   0.9428194435  -0.0031556217
N   -1.1479323689  -1.1041691829   0.0005742752
N   -2.8202608363   1.9780153469  -0.0041555609
C    3.6045301887   0.0292950272   0.0006184828
C   -3.5969853635  -0.9667331707   0.0010762759
C   -2.2201564297  -0.3947035516  -0.0002599753
C    4.0479587436  -0.7241097711  -1.2516806742
C    4.2250695586   1.4243530732  -0.0050814680
C    4.0432471931  -0.7121537968   1.2617197916
C    1.2212892631  -0.7075773866  -0.0022862865
C   -0.5535318156   1.0854211248  -0.0038570214
C   -4.3671561209  -0.5979302030   1.2682938064
C   -4.3706383479  -0.5966357381  -1.2636908962
H   -3.4446903255  -2.0489049839   0.0002213895
H    1.8328373724   1.2095997111  -0.0012472211
H    3.6508480652  -1.7370153853  -1.2850227782
H    3.7304850396  -0.2020374760  -2.1559983507
H    5.1365699467  -0.7968271042  -1.2751785993
H    3.9302351504   1.9981640808   0.8762783665
H    3.9316129509   1.9897158149  -0.8922544365
H    5.3124824838   1.3545803999  -0.0038536624
H    3.6445601421  -1.7241758216   1.3042546018
H    5.1316452187  -0.7862537028   1.2894318458
H    3.7237914965  -0.1803998801   2.1596752133
H   -4.5663384717   0.4713068325   1.3262286753
H   -3.8276385453  -0.8964825035   2.1678733725
H   -5.3269855414  -1.1162332391   1.2752815304
H   -3.8308476821  -0.8884322511  -2.1653104455
H   -4.5756104793   0.4717250734  -1.3169145346
H   -5.3277249312  -1.1199399035  -1.2717009072
H   -2.6722062953   2.5566967305   0.8139066822
H   -2.6846197657   2.5441090456  -0.8330067812
*