! 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   0.7208122691   0.5481940565  -2.8317699330
Cl   3.9113224943  -2.3036866583   0.3806578076
O   -1.3184715137   1.8292048930   0.8738350388
N   -2.4447225676  -0.7040836390   0.2095717688
N   -3.2767683045  -1.6400433313   2.0223887186
C   -0.9494273353   1.1990302923  -0.3211333320
C   -2.1175348296   0.3131572020  -0.7596832688
C    0.3133110770   0.3814244547  -0.1503006472
C    1.1072509954   0.0032291022  -1.2289770865
C    0.6800643947  -0.0942595116   1.1048163910
C   -1.9835096287  -1.9918484212   0.2287922223
C   -3.2097501569  -0.5450856421   1.3130336463
C   -0.7165164110   3.1004170515   1.0804301038
C    2.2159257997  -0.8156327047  -1.0842200963
C    1.7829126588  -0.9116514117   1.2848615429
C    2.5396418343  -1.2700223385   0.1825880844
C   -2.5119814980  -2.5533662262   1.3534121997
C   -1.3895029532   4.1522743079   0.2561867088
C   -0.7732232463   4.8924797660  -0.6561809957
H   -0.8086180004   1.9367340267  -1.1220595410
H   -2.9943389878   0.9378863522  -0.9314818199
H   -1.8817704931  -0.1719089391  -1.7058168301
H    0.0884954734   0.1768310328   1.9684192772
H   -1.3465193617  -2.3886715933  -0.5443869952
H   -3.7003291985   0.3885717773   1.5402133292
H   -0.8383617335   3.3161009003   2.1442101448
H    0.3608835456   3.0728580960   0.8766605321
H    2.8115639970  -1.0922201687  -1.9430908304
H    2.0394628265  -1.2677369841   2.2729853412
H   -2.3859837791  -3.5640239604   1.7102509487
H   -2.4516848784   4.2910448396   0.4383372561
H   -1.3022010728   5.6488674613  -1.2228358074
H    0.2848963320   4.7809240799  -0.8656219762
*