! 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 "WATER"
end
*xyz 0 1
Cl   6.6716514037  -0.4768453029   0.1909725622
O   -1.6811104303   0.1763992050  -1.7547994145
N   -3.4062784854   1.6558615725   0.1824533229
N   -4.0590532335   1.5898029997  -0.9827787068
N   -5.5125485722   1.7536924010   0.7131125464
C   -1.5125229686   0.1434866456  -0.3556909688
C   -2.2254589785  -1.0329570328   0.3595246435
C   -0.0234167084  -0.0744420224  -0.0396859456
C   -1.4140049302  -1.1967593326   1.6560233112
C   -0.0025951456  -0.6357275136   1.3855690723
C   -2.3942234887  -2.3225221169  -0.4658437115
C   -1.9720195632   1.4845150188   0.2516366892
C    0.8864020987   1.1367322594  -0.2569852254
C   -1.1098534781  -3.0687584778  -0.8135551563
C   -3.3525413068  -3.2642457433   0.2609816798
C    2.3363665930   0.7585733510  -0.1446751509
C   -4.2838925249   1.7400386833   1.1782307696
C    3.0638913655   1.0109649534   1.0142402342
C    2.9808045391   0.1107096054  -1.1968773529
C    4.3950938208   0.6343688137   1.1283602073
C    4.3093593570  -0.2731923371  -1.1040763399
C   -5.3139879470   1.6533724676  -0.6110395212
C    5.0068800194  -0.0061311733   0.0640302023
H   -3.2490590382  -0.7390941164   0.6152178253
H    0.3172514844  -0.8514831255  -0.7280358318
H   -1.3828934484  -2.2344104142   1.9907641742
H   -1.8898699749  -0.6387780156   2.4644245607
H    0.2434783665   0.1489653248   2.1055498987
H    0.7663255762  -1.4009570920   1.4929046111
H   -2.8784042436  -2.0415816891  -1.4059270336
H   -1.5009870451   2.3162701960  -0.2729913638
H   -1.6988639449   1.5652753451   1.3035436261
H    0.6646382145   1.9194105262   0.4725606496
H    0.6994809472   1.5599133713  -1.2477234015
H   -2.5825043866   0.4738176692  -1.9463005228
H   -1.3477260959  -4.0159434033  -1.3016992672
H   -0.4744463435  -2.5140490153  -1.5022837137
H   -0.5186950725  -3.3074332186   0.0736325858
H   -2.9427047487  -3.6102457213   1.2128181747
H   -3.5585088777  -4.1506227237  -0.3417686503
H   -4.3086201673  -2.7803056829   0.4707507818
H   -3.9888210680   1.7976650832   2.2141062787
H    2.5907644589   1.5158049578   1.8476015843
H    2.4402339760  -0.0963882431  -2.1129078376
H    4.9439240925   0.8438283420   2.0364178712
H    4.7925616177  -0.7703055908  -1.9342656107
H   -6.1168200397   1.6314281268  -1.3308683625
*