! 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   4.7613829080  -1.2045372550   0.1968403376
O   -1.4449226219   0.0855972636  -1.7991918766
N   -0.8720337541   2.0896844195   0.3236526377
N   -0.5622319021   2.5798013105  -0.8791915499
N    0.4149221466   3.7907102841   0.7208864685
C   -3.4612834018  -1.3236319758  -0.3877247513
C   -4.4831283693  -2.3607799854  -0.0379549423
C   -4.4235773732  -1.0794067644   0.7362403180
C   -1.9708162557  -1.5472489683  -0.1764091175
C   -1.1754203437  -0.2405563438  -0.4544228673
C   -1.6371116840  -2.1883193181   1.1653381030
C   -1.6838805197   0.8979000672   0.4522855259
C    0.3213514871  -0.4719335427  -0.2664157485
C    0.9481958758  -0.3384578061   0.9709941413
C    1.1024131922  -0.8563872683  -1.3526093947
C    2.3075099336  -0.5616286546   1.1233667891
C    2.4631658189  -1.0899072333  -1.2187227312
C   -0.2800437909   2.8191390093   1.2676361760
C    3.0586067340  -0.9334699655   0.0209591318
C    0.2126058192   3.5970572691  -0.5932908195
H   -3.6879069934  -0.7799609828  -1.2974991650
H   -4.1670502245  -3.2691128146   0.4603651968
H   -5.3045125185  -2.5075830823  -0.7282869276
H   -5.2067369054  -0.3466892587   0.5850631515
H   -4.0626357844  -1.1281707862   1.7562821902
H   -1.6374673353  -2.2448289597  -0.9547098481
H   -1.7986385116  -1.5242401250   2.0163575974
H   -0.6009820275  -2.5204460597   1.2008487885
H   -2.2475799612  -3.0760427539   1.3310073303
H   -1.6854089210   0.6226696121   1.5052330412
H   -2.7117925038   1.1409025448   0.1832201981
H   -1.0854368823   0.9713579639  -1.9691131531
H    0.3858415261  -0.0663549915   1.8545678699
H    0.6556241320  -0.9757730072  -2.3299413031
H    2.7691178871  -0.4426113276   2.0941589227
H    3.0483538910  -1.3849101764  -2.0793666991
H   -0.3834847907   2.6129676051   2.3214624656
H    0.6428705190   4.2192553797  -1.3624407693
*