! 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   2.0921059735  -0.3086767663   2.3922257484
Cl  -7.1089146450   0.7003673199  -1.8211514899
O    3.9803802198  -0.2784515084   0.2000195032
O    3.3730662935  -0.2712212214  -1.9373545933
O   -2.2708739171  -1.7108267760   0.4393743492
N    2.6260081093   2.3418260141   0.4958479858
N    1.3508743296   2.6274684689   0.7711179648
N    2.6707136868   3.1682573333   2.5042819583
C    2.9899123804   0.1802650281  -0.6674340821
C    4.5188090009  -1.4946122125  -0.3261825452
C    3.0199939624   1.7095319111  -0.7338449440
C    3.9149424228  -1.5654741969  -1.7346502769
C    1.5986393118  -0.3471496897  -0.3111461195
C    4.1862654936  -2.6931608573   0.5320082507
C    1.1316302095  -0.5810005090   0.9797107784
C    0.6970594788  -0.5611017468  -1.3537789241
C   -0.1634358333  -1.0203375818   1.2181041352
C   -0.5965217394  -1.0003458910  -1.1450914746
C   -1.0205235895  -1.2301501738   0.1549848483
C    3.3932143652   2.6563190795   1.5397360861
C    1.4315956367   3.1132757136   1.9812027540
C   -3.3651711246  -1.1062533807  -0.1207932223
C   -4.4683901935  -1.9107027965  -0.3671770145
C   -3.4123842555   0.2558785628  -0.3872426666
C   -5.6265167466  -1.3537266904  -0.8843681573
C   -4.5678583013   0.8108131137  -0.9148899963
C   -5.6664869054   0.0035749812  -1.1614509658
H    5.6032385255  -1.3700581949  -0.3752063042
H    2.3550156374   2.0564725393  -1.5229601751
H    4.0310351957   2.0340388289  -0.9798837481
H    4.6553374972  -1.7596852822  -2.5088036097
H    3.1345015753  -2.3320786806  -1.7994736513
H    3.1105219456  -2.8610417381   0.5971815469
H    4.5819902097  -2.5835231764   1.5410218351
H    4.6373834663  -3.5859501478   0.0960295160
H    1.0147331944  -0.3862624162  -2.3723160250
H   -0.5055705346  -1.1934878773   2.2295713428
H   -1.2540320414  -1.1634953240  -1.9887265910
H    4.4623100276   2.5170147656   1.5454973976
H    0.5556058992   3.4605713737   2.5061460049
H   -4.4275250727  -2.9703475573  -0.1524405997
H   -2.5655666494   0.8988139990  -0.1862469700
H   -6.4847916078  -1.9827369665  -1.0754264750
H   -4.6025459455   1.8710022532  -1.1239998140
*