! 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   4.6141064364  -4.8106545681   0.3874870928
O   -0.6917636991   1.7489713268  -1.7097801712
N   -1.5365657948   3.3597606320   0.6342224337
N   -1.8004722021   4.0056060519  -0.5047959515
N   -2.8460413990   4.9962036095   1.2002630547
C   -0.9763015076   1.1899774904  -0.4419233079
C   -2.4259114730   0.6438624339  -0.4504974613
C   -0.0936711630  -0.0629963995  -0.3171503927
C   -2.2841169704  -0.6182680709  -1.3179810182
C   -0.8560693895  -1.1502366203  -1.0961389419
C   -3.1206681260   0.3966989685   0.9053009796
C   -0.6630813201   2.2006464815   0.6634993705
C    1.3559051635   0.1240026280  -0.7744197346
C   -2.5776668683  -0.7576333125   1.7434258231
C   -4.6187592394   0.1999355051   0.6769659088
C    2.1857448337  -1.0981142454  -0.4945117107
C   -2.1647253133   3.9635147462   1.6423273868
C    2.6340275198  -1.3738640391   0.7960629637
C    2.5083868345  -2.0000220572  -1.5040793716
C    3.3788757360  -2.5083017846   1.0770649590
C    3.2516124311  -3.1431837184  -1.2444484905
C   -2.5928676417   4.9753485339  -0.1190915764
C    3.6811080837  -3.3879590462   0.0487893179
H   -3.0517279328   1.3810713043  -0.9653535127
H   -0.0672436718  -0.3412411027   0.7395075413
H   -2.4276323615  -0.3607671154  -2.3675760468
H   -3.0415786989  -1.3681103728  -1.0846977510
H   -0.8558014543  -2.0906914324  -0.5437266734
H   -0.3704826737  -1.3582816043  -2.0519045401
H   -3.0226751361   1.3069987774   1.5050176570
H    0.3693565858   2.5456212612   0.5719936650
H   -0.7663775803   1.7499277800   1.6496317444
H    1.8029580352   0.9813809551  -0.2628264563
H    1.3832012626   0.3459870499  -1.8419292625
H   -1.1710594878   2.5888207846  -1.7782340287
H   -1.5502481020  -0.6053138777   2.0752393771
H   -2.6179858908  -1.7095949801   1.2098820890
H   -3.1792855980  -0.8745378535   2.6469826237
H   -4.8308515346  -0.7077722543   0.1075481662
H   -5.0545645456   1.0396729555   0.1319703824
H   -5.1502623454   0.1158469720   1.6267236359
H   -2.0984201871   3.6231433286   2.6640055479
H    2.4067010583  -0.6876103741   1.6037355233
H    2.1818504981  -1.8105473497  -2.5194662926
H    3.7209800840  -2.6998093312   2.0853351753
H    3.4924564166  -3.8287874982  -2.0458482445
H   -2.9985752444   5.6910042548  -0.8170267120
*