! 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   5.3314560641   3.0439305010  -0.8640860468
O   -2.0341900607  -1.0862637079   1.5167316833
N   -0.7186091334  -2.7595392273  -0.5328601944
N   -0.4076259905  -3.2892406652   0.6568776762
N    1.2797426620  -3.5806969853  -0.7853611657
C   -1.9639417493  -0.7319726675   0.1528304823
C   -3.2060687968   0.1138516343  -0.1900044366
C   -0.7547732742   0.2134338108  -0.1648075623
C   -2.7801532071   1.5287241193   0.1896176280
C   -1.3686225235   1.6143029726  -0.3776068286
C   -4.5599503118  -0.3772697002   0.3524913362
C   -1.9317315716  -1.9925988165  -0.7204649488
C    0.3317797031   0.1964441391   0.9198370707
C   -4.8899262929   0.1117496864   1.7605404058
C   -5.6799095865   0.0375543813  -0.5997426710
C    1.5796453325   0.9130937066   0.4880217933
C    0.3005288393  -2.9291943194  -1.3726845940
C    1.8526361100   2.2142937748   0.8997782497
C    2.4990662370   0.2859231464  -0.3513352536
C    2.9995209251   2.8788273761   0.4878272238
C    3.6520317331   0.9295542124  -0.7721793839
C    0.7971465175  -3.7656504221   0.4548446906
C    3.8909103251   2.2279733001  -0.3482004873
H   -3.2743986373   0.0992557833  -1.2864134593
H   -0.2886775670  -0.1121159557  -1.1002286327
H   -2.7650401033   1.6529938334   1.2753319793
H   -3.4446485658   2.2946086054  -0.2140947333
H   -1.4155106595   1.8428571039  -1.4445602039
H   -0.7780663702   2.4072141255   0.0838766152
H   -4.5435302713  -1.4728428148   0.3757720137
H   -1.9756731239  -1.7215382414  -1.7737835336
H   -2.7871261376  -2.6352612427  -0.5058745700
H    0.6030466290  -0.8320735334   1.1727795133
H   -0.0514492560   0.6500653941   1.8362975585
H   -1.4012964201  -1.7975749526   1.6905242853
H   -4.1135800648  -0.1310857567   2.4829195822
H   -5.0399353369   1.1934392972   1.7815351550
H   -5.8181897067  -0.3455719485   2.1090245775
H   -5.5377277377  -0.3817866464  -1.5974521038
H   -5.7304899779   1.1244321496  -0.7021284915
H   -6.6524929023  -0.3004558426  -0.2367714050
H    0.2824314359  -2.5840199587  -2.3943736450
H    1.1660755252   2.7245116098   1.5642016559
H    2.3236517220  -0.7328657895  -0.6782433741
H    3.1930810710   3.8889120298   0.8223765939
H    4.3564394254   0.4211170660  -1.4164466292
H    1.3435010942  -4.2709521896   1.2353489149
*