! 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  -0.9549073444   0.7142013686   2.1728133847
Cl  -5.3230586983  -0.9432348329  -0.4551577576
O    0.8898602958  -2.2200709615   0.0643004662
N    1.4515991118  -0.9983169806  -0.1450292466
N    4.4502071185   1.8057291718   1.0299521509
C    1.0945935573   1.3220115882  -0.5806630933
C    0.6011659028  -0.0732773978  -0.3143449822
C   -0.8645917540  -0.2975621000  -0.3303772317
C    2.5782443685   1.4699770956  -0.4325768541
C   -1.6717397773   0.0476706213   0.7463172677
C   -1.4720964678  -0.8622881722  -1.4473624116
C    3.4414464489   1.3452388074  -1.5116722267
C    3.1466138208   1.7012434303   0.8154382977
C   -3.0445952011  -0.1404174570   0.7228718191
C   -2.8399881703  -1.0648934406  -1.4995185386
C   -3.6132412413  -0.6985141832  -0.4093084887
C    4.8071702178   1.4561721383  -1.3026870227
C    5.2622081186   1.6815383452  -0.0136522091
C    1.9057245889  -3.1929948797   0.2175811984
H    0.7818673197   1.6035984615  -1.5911485766
H    0.5730357126   2.0142181026   0.0861691932
H   -0.8648855935  -1.1454277464  -2.2971813834
H    3.0515158809   1.1643960859  -2.5062411406
H    2.5069811813   1.8076863788   1.6868960399
H   -3.6530884472   0.1368686856   1.5724196145
H   -3.2922882872  -1.5048759936  -2.3772672031
H    5.5079179950   1.3666632079  -2.1216298936
H    6.3247520122   1.7671448116   0.1847443509
H    2.5378653142  -2.9884814641   1.0850358288
H    2.5349889960  -3.2683713794  -0.6725376849
H    1.3960882217  -4.1430195668   0.3693473946
*