! 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   5.3145588052  -3.0794652667   0.6471416804
O   -1.9667159869   1.2687490463  -1.7030828424
N   -0.8863018519   2.5529846923   0.7519984067
N   -0.4739296434   3.2910769724  -0.2855761864
N    1.0173170002   3.3955677249   1.3815933924
C   -1.9683267945   0.6649674565  -0.4258449951
C   -3.1655427798  -0.3205263363  -0.3647467815
C   -0.7012261072  -0.2222983472  -0.1530323090
C   -2.6379031774  -1.4876623900   0.4670628698
C   -1.2200783785  -1.6567152546  -0.0535831556
C   -4.5280862610   0.2382967254   0.0649674802
C   -2.0811513341   1.7397337308   0.6675236030
C    0.4382053425  -0.0403364208  -1.1572855924
C   -5.5448552801  -0.8896864079   0.2273584831
C   -5.0755304560   1.2642115175  -0.9251315309
C    1.6646934598  -0.7967327694  -0.7329207749
C    0.0162508934   2.6171407633   1.7279298654
C    1.9608181533  -2.0533364550  -1.2523143534
C    2.5249022384  -0.2632059301   0.2248190029
C    3.0778140651  -2.7631756830  -0.8341971963
C    3.6460641186  -0.9546797270   0.6561452399
C    0.6691752831   3.7716658049   0.1395720672
C    3.9121543555  -2.2050987858   0.1200332980
H   -3.2820851988  -0.6971879830  -1.3905978665
H   -0.3089564025   0.0382625591   0.8366200868
H   -3.2375262642  -2.3903644451   0.3519116200
H   -2.6315130196  -1.2364303863   1.5336946132
H   -0.5939712389  -2.2839796092   0.5817263597
H   -1.2474672476  -2.1242284349  -1.0434538171
H   -4.4264780748   0.7193201967   1.0445343291
H   -2.2174184024   1.2802012778   1.6456967877
H   -2.9283531668   2.4010915578   0.4908057010
H    0.6984992022   1.0169548415  -1.2553490127
H    0.1193090794  -0.3799681473  -2.1449101389
H   -1.3572491604   2.0210038335  -1.6926869463
H   -5.6412549860  -1.4713812890  -0.6929714646
H   -6.5309735776  -0.4865986787   0.4647635082
H   -5.2763950912  -1.5773992034   1.0293256513
H   -4.4254309200   2.1280443764  -1.0576457415
H   -6.0448449210   1.6385007195  -0.5911654325
H   -5.2205032378   0.8126540102  -1.9095152239
H   -0.1011850132   2.1024622124   2.6683334795
H    1.3144780054  -2.4918780751  -2.0025767352
H    2.3251730403   0.7178211407   0.6412139344
H    3.2916119766  -3.7374216149  -1.2522791664
H    4.3030107848  -0.5197990428   1.3969942387
H    1.2702920991   4.4249848074  -0.4727383451
*