! 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  -4.7353655510  -0.5095580198  -0.0580600409
O    1.8199788149  -1.2701309612  -1.1425234986
N    2.8918783895  -0.4152772074  -0.7951301346
N   -0.3793311692   2.5651388232   1.0632891782
C    2.4792596852   0.1569009973   0.4902508202
C    1.8590434372  -1.0585776197   1.1933607291
C    1.1590854101  -1.7589044795   0.0288050939
C    1.4385419049   1.2369657861   0.2231282345
C    3.6407682260   0.7706931479   1.2619008519
C   -0.3207085229  -1.4589188583  -0.0480167101
C    4.1150974211  -1.1972054865  -0.7804911681
C    1.3420198179   1.8878127780  -0.9991874837
C    0.5552867369   1.6394734152   1.2208471389
C   -1.1528337099  -1.9256701194   0.9661500033
C   -0.8843979885  -0.7196945464  -1.0803076690
C    0.3664328748   2.8555268904  -1.1786577052
C   -2.5085817542  -1.6416618933   0.9722902916
C   -2.2400623925  -0.4251655300  -1.0890909473
C   -0.4791725330   3.1505568989  -0.1233551719
C   -3.0416011055  -0.8837469711  -0.0588379426
H    2.6471114069  -1.6870928328   1.6108768840
H    1.1842059025  -0.8117007157   2.0094124427
H    1.2970243555  -2.8441661257   0.0915846838
H    3.2660506228   1.2358234488   2.1737028001
H    4.1374448169   1.5478133076   0.6790444811
H    4.3819329700   0.0281264586   1.5573610880
H    4.9617560313  -0.5293741861  -0.6334635301
H    4.2400711578  -1.6589448522  -1.7588673636
H    4.1584171693  -1.9869995351  -0.0216757348
H    2.0106307540   1.6279250634  -1.8083829628
H    0.5998409901   1.1904006498   2.2079244411
H   -0.7422775087  -2.5169337446   1.7767627063
H   -0.2703039219  -0.3533095754  -1.8896771278
H    0.2586621940   3.3697793311  -2.1242157587
H   -3.1381938787  -2.0061464830   1.7728743561
H   -2.6598894717   0.1608799826  -1.8956454177
H   -1.2605352806   3.8942721140  -0.2336301528
*