! 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   1.9790044477  -0.2449298312   2.0282286723
Cl   2.8638347349   4.5602532383  -0.0865778736
O   -1.4738188449  -0.3915699446  -0.8725874947
O   -0.7363406986  -0.9940663627   1.1631978918
N   -0.2074721116  -2.9167905670  -0.8427944655
N   -0.9282161691  -3.2111642762  -1.9291719196
N   -1.2948098772  -4.7224100775  -0.3104536299
C   -0.3186282417  -0.5810023754  -0.1055727765
C   -2.6300961789  -0.7104390652  -0.0985138415
C   -2.0944383428  -0.6217803952   1.3182114330
C    0.5383654096  -1.6925366684  -0.7300565521
C    0.4853693299   0.7151003495  -0.0584544003
C   -3.7877121504   0.2054983953  -0.4472241180
C   -3.5690657587   1.6893188773  -0.1916104736
C    1.5199775919   0.9377793800   0.8491585489
C    0.2297301925   1.7197060994  -0.9876396505
C    2.2523086050   2.1159945817   0.8498346287
C    0.9458449175   2.9040834400  -1.0116180677
C   -0.4491500022  -3.8158959454   0.1129898787
C    1.9535732579   3.0923949161  -0.0832040160
C   -1.5546564748  -4.2976932769  -1.5619613451
H   -2.9314686308  -1.7428760360  -0.3164031497
H   -2.1767983114   0.3847625186   1.7409784523
H   -2.5755439929  -1.3233497510   1.9980791226
H    1.4264051003  -1.8788116729  -0.1283453921
H    0.8711814239  -1.3959833936  -1.7227064156
H   -4.0417185951   0.0470236320  -1.4980265765
H   -4.6528165033  -0.1456313962   0.1210876841
H   -3.4425565994   1.9156477574   0.8672367484
H   -2.6966179562   2.0732573640  -0.7200240427
H   -4.4329154619   2.2573713456  -0.5369244538
H   -0.5506308482   1.5812524849  -1.7211662811
H    3.0458761964   2.2635093754   1.5687180600
H    0.7153965748   3.6622935041  -1.7465269693
H    0.0241537295  -3.7882365839   1.0810680900
H   -2.2228408324  -4.8151328984  -2.2321556457
*