! 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   5.5612332269  -0.0799198382   0.2532710581
O   -0.1829200378  -0.6544771919  -0.7532121055
O   -2.7289358167  -0.6603356218  -1.6029204632
N   -1.2673540041   1.2776256903   0.0220110131
N   -1.3041320338   2.0269962504   1.1312325478
N   -1.4043318728   3.3172109352  -0.7002521750
C   -3.3601654035  -1.5330334976   0.5483792476
C   -2.4814215033  -0.7969040314  -0.4319677307
C   -1.1723592536  -0.1643958472   0.0956735930
C   -2.5545250432  -2.6900934156   1.1556999471
C   -3.7843580979  -0.5538098569   1.6520286581
C   -4.5927043336  -2.0787855223  -0.1626964543
C    1.1359182133  -0.4738133694  -0.4420731228
C   -1.3286119151   2.0613676065  -1.0614367985
C    1.5995691155   0.2090951582   0.6735794208
C    2.0357838111  -1.0371899542  -1.3409823425
C   -1.3896739299   3.2360668107   0.6461322374
C    2.9678472806   0.3266495963   0.8847469511
C    3.3963343978  -0.9198083672  -1.1284792103
C    3.8565362023  -0.2343843412  -0.0131420565
H   -0.9851521330  -0.4073621972   1.1436490939
H   -3.1979410649  -3.2540122955   1.8319101196
H   -2.1940023678  -3.3762973519   0.3885255256
H   -1.6979833177  -2.3537220145   1.7409475116
H   -2.9434373791  -0.1659686567   2.2280193396
H   -4.4374505475  -1.0734260458   2.3540460370
H   -4.3383571492   0.2939716240   1.2469648888
H   -5.2243385089  -2.6035103040   0.5547496457
H   -4.3293869391  -2.7877372841  -0.9481486862
H   -5.1922788252  -1.2848434013  -0.6085683262
H   -1.3026058671   1.6921121419  -2.0735145731
H    0.9372534407   0.6640404096   1.3964716346
H    1.6690076699  -1.5699678316  -2.2083857039
H   -1.4403501755   4.0992426488   1.2902540666
H    3.3236070792   0.8616775777   1.7541435584
H    4.0884380704  -1.3616906490  -1.8316500618
*