! 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   1.6721844661   2.1646575225   1.3122893919
Cl   5.5403608238  -1.0830433353  -0.3802972444
O   -1.1124164986  -0.8512143060  -0.5723864939
O   -0.7741355327   0.5535166130   1.1478500471
N   -2.0198524602   1.7053329609  -1.2118607035
N   -2.6081332811   2.5235507208  -0.3367201646
N   -4.1240526457   1.6513153945  -1.7355408834
C   -0.3542607256   0.2387157938  -0.1486559001
C   -1.7465307898  -1.4539322562   0.5540724980
C   -1.8647055754  -0.2750692892   1.5056195565
C   -3.0662885485  -2.0582216672   0.1199580519
C   -0.6206762737   1.3882963831  -1.1358202946
C    1.1373465473  -0.0835516125  -0.1544206177
C   -3.8716702881  -2.6651464439   1.2665286846
C    2.0977347237   0.7212253294   0.4570174472
C    1.5911296534  -1.2017264977  -0.8471976233
C   -3.2149704371  -3.8669561269   1.9310967809
C    3.4501080850   0.4190476689   0.3961223016
C    2.9349233391  -1.5264039426  -0.9244293165
C   -2.9356160014   1.1865045264  -2.0344680559
C    3.8561853034  -0.7077702021  -0.2962945612
C   -3.8664530221   2.4631331157  -0.6899894730
H   -1.0839632765  -2.2207211174   0.9746668934
H   -2.8153356361   0.2570894728   1.3814170905
H   -1.7634867569  -0.5579039490   2.5539190872
H   -2.8781267974  -2.8261665459  -0.6360110944
H   -3.6618295747  -1.2777519003  -0.3631610703
H   -0.2795001708   1.0937296882  -2.1281791085
H   -0.0744081397   2.2850652914  -0.8518755636
H   -4.8424110519  -2.9674944153   0.8669978949
H   -4.0898158041  -1.9005221582   2.0186488870
H    0.8775940554  -1.8426986643  -1.3455119029
H   -2.2882673974  -3.6072108239   2.4454170946
H   -3.8792791261  -4.3091384606   2.6748915239
H   -2.9796597512  -4.6435461673   1.2004061521
H    4.1732119889   1.0597633867   0.8815973573
H    3.2517244007  -2.4037254276  -1.4709222730
H   -2.6907090967   0.4970939600  -2.8269040048
H   -4.6290958731   3.0295957796  -0.1783654924
*