! 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   0.8412812588  -1.2908052489   2.6028251837
Cl   4.1527600564  -1.4378645392  -1.5692102457
O   -2.1831237453   0.2071563520  -0.3832441529
O   -1.8706162500  -0.9754837593   1.4812971116
N   -0.3953283702   2.2817238985   0.7384240134
N    0.9149133500   2.4498382804   0.9449427845
N    0.2384370399   3.6523387772  -0.8250154875
C   -1.2831792373  -0.0066932979   0.6584027902
C   -2.7920589993  -1.0506599262  -0.6678705122
C   -2.7864964573  -1.7325488222   0.7024031171
C   -1.1524123484   1.2933975184   1.4619122905
C    0.0764559874  -0.4483231051   0.1158327155
C   -4.1680227608  -0.8432239005  -1.2595794344
C   -4.1476999790  -0.1690129527  -2.6224741399
C    1.0777682614  -0.9990463502   0.9110279616
C    0.3874745930  -0.2056598764  -1.2188869773
C    2.3280428415  -1.3154069721   0.4021831173
C    1.6279742295  -0.5053742920  -1.7546513250
C   -0.7762183573   2.9911883819  -0.3252070167
C    2.5905740274  -1.0617359081  -0.9321991454
C    1.2424482167   3.2786346090  -0.0103824949
H   -2.1675675229  -1.6121327644  -1.3746749969
H   -3.7682950411  -1.6983424553   1.1818870120
H   -2.4685288560  -2.7743107501   0.6355311260
H   -0.6466628009   1.1094820202   2.4063932943
H   -2.1467120753   1.6837300378   1.6790854715
H   -4.7774322613  -0.2693791650  -0.5560318766
H   -4.6362324397  -1.8270158853  -1.3455756208
H   -3.5705999836  -0.7511630096  -3.3431389053
H   -5.1587443050  -0.0678154787  -3.0164168400
H   -3.7130823711   0.8295452344  -2.5755809635
H   -0.3551061815   0.2366689720  -1.8677803736
H    3.0855205515  -1.7447580711   1.0426243442
H    1.8324183825  -0.3020481062  -2.7961418112
H   -1.7924520058   3.0131430766  -0.6834272793
H    2.2541038882   3.6357253425  -0.1201110488
*