! 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  -0.0224935811  -2.2665619188  -2.0490624525
Cl  -4.4608084003  -1.2595558948   0.7758503867
O    3.5274637699  -0.8763110636   0.6626151499
N    2.2088538283  -1.1751840270   0.8306152968
N   -0.3274209889   3.4996225477  -0.6907632927
C    1.8297920325   0.4361056551  -1.0321719184
C    1.4391888550  -0.5686375582   0.0186435816
C   -0.0117358383  -0.7960165034   0.2187182633
C    1.3677101836   1.8016730869  -0.6013865018
C   -0.7825383970  -1.5117185999  -0.6911762330
C   -0.6570664916  -0.2326083183   1.3149224327
C    2.0951139476   2.5671362126   0.3014677358
C    0.1610967259   2.3207051952  -1.0552466931
C   -2.1501040427  -1.6640612750  -0.5339323069
C   -2.0221550491  -0.3689505202   1.5016664370
C   -2.7551716039  -1.0820102508   0.5677940084
C    1.6003943774   3.8021709298   0.6866973473
C    0.3876054049   4.2225114349   0.1641152620
C    4.3146427743  -1.6124594689   1.5818112672
H    2.9034891976   0.4324295260  -1.2084935901
H    1.3506483208   0.1714815186  -1.9767735814
H   -0.0807289208   0.3349250992   2.0331128923
H    3.0376531092   2.2046723552   0.6939732476
H   -0.4359099095   1.7526885443  -1.7616504128
H   -2.7274089418  -2.2289930219  -1.2520017176
H   -2.5023325920   0.0809582263   2.3589032478
H    2.1408152953   4.4298612871   1.3811837686
H   -0.0249123340   5.1827786664   0.4498532277
H    4.0568714223  -1.3778419628   2.6164755238
H    5.3460345049  -1.3171916938   1.3998926964
H    4.2225142451  -2.6891154735   1.4239841753
*
