! 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   0.4513066157  -1.1877477134   2.3101226185
Cl   1.3395444982  -5.3578639505  -0.8829060431
O   -0.6990549121   0.8531248096   0.5398722124
O    0.1032864935   1.1532272522  -1.5362116467
N    1.4595369070   2.6553562499   0.4791466933
N    1.7071065775   3.5831319862  -0.4496242382
N    0.7430393722   4.5124030203   1.3529560605
C    0.3944326428   0.5845156080  -0.2937909714
C   -1.7156246225   1.5307804196  -0.1977762921
C   -1.3070473735   1.2544719334  -1.6335679592
C   -3.0848803132   1.0159274361   0.1882399524
C    1.6666454224   1.2516894998   0.2433027141
C    0.6135280581  -0.9216154827  -0.4090134552
C   -4.1995159529   1.7766393103  -0.5209426823
C    0.6522908335  -1.7746417062   0.6931198926
C    0.8243138947  -1.4906455132  -1.6608459500
C   -5.5806041944   1.3016758294  -0.0988086715
C    0.8736561521  -3.1366767028   0.5572837584
C    1.0445822839  -2.8476600503  -1.8269250804
C    0.8747679414   3.2218031648   1.5356761390
C    1.0643028611  -3.6613645746  -0.7087736808
C    1.2666015895   4.6719907253   0.1225960396
H   -1.6541757842   2.6069303800   0.0130899766
H   -1.7486542982   0.3219227899  -2.0081400835
H   -1.5500363413   2.0605310323  -2.3235144601
H   -3.2128025940   1.1159847873   1.2695301535
H   -3.1514727719  -0.0517887309  -0.0432933118
H    2.4819437214   1.1316235415  -0.4682210444
H    1.9776921872   0.7862248775   1.1770358055
H   -4.0968859739   1.6689384271  -1.6049216978
H   -4.0997606413   2.8450801411  -0.3097155955
H    0.8182952541  -0.8629768246  -2.5403223245
H   -5.7263267365   1.4160935667   0.9766618744
H   -6.3655376689   1.8687633898  -0.5997322996
H   -5.7294297969   0.2482004790  -0.3412084054
H    0.8959473330  -3.7750811989   1.4291520871
H    1.1998023654  -3.2551150311  -2.8157420456
H    0.5869325621   2.6686892283   2.4149676366
H    1.3303446923   5.6303117563  -0.3681613978
*