! 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   0.4497408609  -1.1348347448   2.2590252768
Cl   0.7268073660  -5.2426384414  -1.1171762514
O   -0.5769831026   1.0977156665   0.6377417993
O    0.0671054731   1.3681604056  -1.4692549193
N    1.7203925020   2.6900175838   0.4659461827
N    1.5366189366   3.1447256903   1.7086098835
N    1.5616600225   4.8461938279   0.2454723717
C    0.4153915709   0.7389721114  -0.2710204615
C   -1.7993760382   1.2835560966  -0.0729235709
C   -1.3492146142   1.3574219307  -1.5409264681
C   -2.7882446950   0.1634620776   0.2041900445
C    1.7731848787   1.2829711372   0.1747881490
C    0.5029045851  -0.7772486659  -0.4534176407
C   -4.1393399282   0.3706197914  -0.4771638400
C    0.5074706143  -1.6728483204   0.6151373896
C    0.6029148790  -1.3145403730  -1.7330873266
C   -4.9235159409   1.5677620542   0.0438554216
C    0.5750898673  -3.0438679006   0.4205317130
C    0.6719835101  -2.6794019181  -1.9575308281
C    1.7215181180   3.7118094010  -0.3908420596
C    0.6503108989  -3.5346856743  -0.8709433389
C    1.4533869896   4.4351995478   1.5234142911
H   -2.2107913723   2.2405844604   0.2572143394
H   -1.7020953675   0.4953205784  -2.1179380996
H   -1.6767367793   2.2644306791  -2.0468939422
H   -2.9378617099   0.0802452521   1.2841184715
H   -2.3576730175  -0.7858501049  -0.1281785210
H    2.5025947579   1.1063381829  -0.6146411459
H    2.1251045317   0.7688234996   1.0654208928
H   -4.7328846504  -0.5341304672  -0.3303892460
H   -4.0067271784   0.4620208329  -1.5597807472
H    0.6241548696  -0.6541977382  -2.5885360991
H   -5.0584016315   1.5104256972   1.1255096520
H   -4.4334386582   2.5168479238  -0.1768576981
H   -5.9148392382   1.6085234505  -0.4084791345
H    0.5688030030  -3.7151319446   1.2677196265
H    0.7400555788  -3.0615454336  -2.9661517785
H    1.8625230566   3.5914668107  -1.4525433871
H    1.3127732109   5.1134588548   2.3501651290
*