! 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   0.1047687621  -0.5860320744  -2.0133130467
Cl   5.1693275062   0.6455583891  -0.9864045330
O   -1.1822961722  -1.1062438610   0.4990546349
O   -0.3677687080  -0.4374938713   2.4804739013
N   -1.4132221064   1.7402634663  -0.2464539243
N   -0.5288293161   2.5505150830  -0.8346096689
N   -2.2085310253   2.0642218328  -2.2424403220
C   -0.4532099503  -0.0934170373   1.1256633676
C   -1.4191342296  -2.1723405751   1.4206468553
C   -0.4368111557  -1.8537147889   2.5365526017
C   -2.8655192842  -2.2013934273   1.8821380037
C   -1.2221477637   1.2338684264   1.0857334267
C    0.9458932756   0.0480881470   0.5237806547
C   -3.8764076350  -2.3734742187   0.7576368197
C    1.2724993502  -0.1461049851  -0.8169874746
C    1.9732442146   0.4592951863   1.3709872954
C   -5.3040121220  -2.4403982218   1.2783404575
C    2.5690016275   0.0292630561  -1.2836210479
C    3.2707799270   0.6504635196   0.9314999613
C   -2.3953146283   1.4507356345  -1.1004711375
C    3.5577704432   0.4246101492  -0.4027282246
C   -1.0468918272   2.7090807201  -2.0240027273
H   -1.1677568121  -3.1122745173   0.9224384115
H   -0.7850099623  -2.1464895699   3.5262047354
H    0.5452461656  -2.3056461976   2.3613672348
H   -3.0923969782  -1.2945128856   2.4540568235
H   -2.9635580545  -3.0360909880   2.5837119131
H   -0.6970408943   1.9905873458   1.6663161647
H   -2.2021979731   1.0846569920   1.5393535101
H   -3.6465863722  -3.2861634503   0.1994401171
H   -3.7873031781  -1.5486728663   0.0461330580
H    1.7613644939   0.6384814086   2.4155180990
H   -5.4315909696  -3.2612895985   1.9870629553
H   -5.5825334796  -1.5180394101   1.7916233736
H   -6.0182279797  -2.5924240205   0.4680922096
H    2.7962239972  -0.1351690547  -2.3276430173
H    4.0381183099   0.9693231300   1.6226345500
H   -3.2267843386   0.8131800105  -0.8441393932
H   -0.5717668673   3.3336663187  -2.7644483602
*
