! 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  -4.4933305178   0.5528317343  -0.1343840348
O    0.9679975901  -0.9133324710   1.3782264874
O    2.6810369186   1.1878108078  -2.4487026156
O    4.8128326028   0.7035607581  -2.0098989506
C    2.4870477784   0.7935316923   0.4894794752
C    1.9702143988   0.0407787877   1.7013883573
C    3.0919438544  -0.1468191230  -0.5561575486
C   -0.2718420593  -0.4996791012   1.0340477082
C   -1.1127613661  -1.4906480296   0.5043152560
C   -0.7383195610   0.8000424647   1.1965539181
C   -2.4098463918  -1.1452059270   0.1556357845
C   -0.6146222430  -2.8907645495   0.3183051635
C   -2.0393219204   1.1304322355   0.8394289346
C    3.6399342927   0.6069105125  -1.7314028011
C   -2.8664412287   0.1548649830   0.3206916101
H    3.2497131126   1.4891911565   0.8471266249
H    1.6963778917   1.4014449211   0.0462175618
H    1.6184202005   0.7384843859   2.4666498916
H    2.7753061164  -0.5407584787   2.1511322838
H    2.3348885602  -0.8484950320  -0.9147508385
H    3.9007088981  -0.7282065659  -0.1139157988
H   -0.1124782569   1.5803386547   1.6065941306
H   -3.0661063542  -1.9025428947  -0.2537281923
H   -0.2964121407  -3.3379930792   1.2611873836
H   -1.3936619926  -3.5247549065  -0.1015056044
H    0.2417762009  -2.9272937149  -0.3575803834
H   -2.3880039667   2.1453604370   0.9713348062
H    3.0706049742   1.6821613150  -3.1861706522
*
