! 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   1.1021862687  -0.1033973580  -2.4553764266
Cl   5.5683240560  -0.8403497241   0.3486432940
O   -1.0774598699  -0.4017931619  -0.4979673875
O   -0.8294170767   0.3845811325   1.5938615920
N   -1.9298938175   2.2607334372  -0.2359077711
N   -2.5279275713   2.8112603229   0.8252138288
N   -4.0413763392   2.2963552408  -0.7499985425
C   -0.3315567505   0.4778705393   0.2837117177
C   -1.7062912401  -1.3489151774   0.3597801187
C   -1.9166575915  -0.5264448048   1.6170604047
C   -2.9747262310  -1.8609578409  -0.2876773950
C   -0.5347710627   1.9095339070  -0.2319292650
C    1.1537080328   0.1303323095   0.2741577774
C   -3.7867647619  -2.7750995804   0.6268191975
C    1.8595262951  -0.1401896586  -0.8978667260
C    1.8706237000   0.1067135345   1.4668870056
C   -3.0624918542  -4.0468488958   1.0428637700
C    3.2130881739  -0.4421561494  -0.8839182428
C    3.2229278915  -0.1863810312   1.5095006018
C   -2.8451233190   1.9467048182  -1.1535925197
C    3.8826932574  -0.4642187311   0.3262562241
C   -3.7843060603   2.8122710704   0.4671184054
H   -1.0132336805  -2.1760333395   0.5596904458
H   -2.8723448342   0.0113286419   1.5976142973
H   -1.8686116205  -1.1157248297   2.5327624417
H   -2.7198149350  -2.3979930866  -1.2052619596
H   -3.5888604776  -1.0042905528  -0.5801206925
H   -0.1439503473   2.0213017664  -1.2416766312
H   -0.0006084743   2.6122368373   0.4045872462
H   -4.7065290349  -3.0423256319   0.1032982999
H   -4.1034524983  -2.2240769206   1.5169914555
H    1.3671347428   0.3199567258   2.3981614266
H   -2.7192408845  -4.6095758763   0.1731597071
H   -2.1921849741  -3.8446227735   1.6685161489
H   -3.7224884845  -4.6986821906   1.6159300433
H    3.7329630079  -0.6552400176  -1.8072593911
H    3.7457868373  -0.1972694338   2.4551821603
H   -2.5988381755   1.4924209310  -2.0992456680
H   -4.5523572215   3.2149385510   1.1083022460
*
