! 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
Cl  -4.5701347600  -1.5714438501   0.3425446754
O    1.5415632958   0.2207687891  -1.7189970030
N    0.5973595006   2.1517046603   0.3322061649
N    0.4146001164   2.6851466608  -0.8787945774
N   -1.0454641137   3.5469949284   0.5738234591
C    3.6332956477  -0.9463313209  -0.0665621199
C    4.3516032890  -0.4166058220   1.1380756910
C    4.6219084776  -1.8077463146   0.6555138678
C    2.1641565776  -1.3084682160  -0.0134213247
C    1.2524560681  -0.1146860749  -0.3854184814
C    1.8866077215  -2.5192533987  -0.9004646528
C    1.5605682031   1.0923297546   0.5283695857
C   -0.2144721903  -0.4979711191  -0.2131093120
C   -0.7230546314  -0.8054850215   1.0476824140
C   -1.0819439038  -0.5431468349  -1.2976817719
C   -2.0554872332  -1.1384639059   1.2281318551
C   -2.4201521109  -0.8746628806  -1.1362060440
C   -0.2856272836   2.6668288738   1.1854125136
C   -2.8987750383  -1.1662912108   0.1286267756
C   -0.5802957830   3.5164749645  -0.6866115535
H    3.9665654422  -0.5557665480  -1.0228929964
H    3.7943119186  -0.3056618998   2.0612575832
H    5.1125053843   0.3399009149   0.9902942203
H    5.5715062259  -2.0142744287   0.1779352176
H    4.2393301338  -2.6299292201   1.2498034771
H    1.9242356599  -1.5905791074   1.0189652805
H    2.1066286327  -2.3154273273  -1.9490099055
H    0.8493129451  -2.8498921959  -0.8345653887
H    2.5127699379  -3.3570177173  -0.5913006678
H    2.5564508516   1.4798540233   0.3152125149
H    1.5324632102   0.8180595789   1.5812736598
H    1.1757720764   1.1001416503  -1.9046971670
H   -0.0825892407  -0.7921532637   1.9214317730
H   -0.7232165254  -0.3273414793  -2.2944787427
H   -2.4276268675  -1.3701463771   2.2169915036
H   -3.0775196587  -0.9024456559  -1.9949782746
H   -0.3338697281   2.3821917197   2.2247640880
H   -0.9800354185   4.1219438337  -1.4851511172
*