! 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   0.6071455141   0.0680442196   2.9397613843
Cl   3.7316653437   2.6893683712  -0.4837784433
O   -2.0980753300  -0.4496647611  -0.6280190491
O   -2.0018541263  -0.2105681352   1.6064225682
N    0.0041438224  -2.5049842488  -0.3901093367
N    1.3311670476  -2.5123856713  -0.2312412393
N    0.7936451474  -2.9595628123  -2.3634673665
C   -1.2563359394  -0.5877917253   0.4860691722
C   -3.3632656292   0.0714185383  -0.2106676783
C   -3.0299961214   0.6523101044   1.1502737911
C   -0.8774019637  -2.0668628946   0.6614101999
C   -0.0139465756   0.2751877845   0.2820058077
C   -3.9308689104   1.0309067830  -1.2386928636
C   -3.0756391045   2.2444646117  -1.5696891233
C    0.8648697642   0.6008677823   1.3123456979
C    0.3260549673   0.7008563011  -0.9988616385
C    2.0109795498   1.3494563058   1.0890493327
C    1.4695382361   1.4372943035  -1.2545815806
C   -0.2971176901  -2.7604183851  -1.6645486154
C    2.3013498995   1.7622804708  -0.1986796893
C    1.7545168075  -2.7919562893  -1.4350762121
H   -4.0654086500  -0.7616290093  -0.0883165060
H   -2.6782750202   1.6880078412   1.0958431185
H   -3.8634078407   0.6047632772   1.8492024298
H   -1.7825381768  -2.6742038672   0.6510721265
H   -0.3732390685  -2.2327253578   1.6105478704
H   -4.1421088426   0.4707879251  -2.1524779991
H   -4.9039144612   1.3554800423  -0.8603416792
H   -2.9043255971   2.8839977545  -0.7036537169
H   -2.1036827595   1.9640078249  -1.9738708922
H   -3.5741212753   2.8546766918  -2.3230380765
H   -0.3141622678   0.4501593367  -1.8317288821
H    2.6686332630   1.5975898223   1.9102075867
H    1.6998296440   1.7493845715  -2.2633720388
H   -1.3089459116  -2.8108097009  -2.0326211570
H    2.8065442590  -2.8870387646  -1.6532609430
*