! 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  -4.1374334487  -0.7159395571  -0.0792019087
O    1.4622338944   0.9701286707  -0.2749086164
O    2.3419548044  -0.6253534152   1.6183361655
O    3.3245562926  -2.0082750693   0.1595957308
C    2.5078870556   0.0974945424  -0.6359581673
C    0.1874990704   0.5095181670  -0.2509127989
C   -0.7760092853   1.4386735050   0.1664976321
C   -0.1840393764  -0.7782668824  -0.6141172819
C    3.7675071178   0.9322954609  -0.7981081074
C   -2.1027142260   1.0388953788   0.2112060352
C   -0.3763325124   2.8290886360   0.5544322357
C   -1.5182253371  -1.1628776550  -0.5623810450
C   -2.4679504688  -0.2511064208  -0.1498237605
C    2.7564204096  -0.9738342565   0.4135795410
H    2.2936892245  -0.4048560957  -1.5846377065
H    4.0470562738   1.4257560270   0.1326061272
H    3.6134532363   1.6904290216  -1.5646594870
H    4.5949432426   0.3004399817  -1.1158801474
H    0.5363569381  -1.5111350101  -0.9512983992
H   -2.8568537253   1.7457666856   0.5328849960
H   -1.2449693221   3.4081276319   0.8629588733
H    0.3338199163   2.8293879500   1.3828077193
H    0.0978199994   3.3588529209  -0.2734808123
H   -1.7952947862  -2.1685589396  -0.8461951273
H    2.5511838760  -1.3237816498   2.2586467247
*
