! 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   0.7762003935   2.1440210256   1.0346232166
Cl   4.8853554757  -0.4744644052  -1.0802143688
O   -1.4842170251  -1.6796664674   0.2507273704
O   -1.4126653014   0.2753715231   1.3098184249
N   -1.5132319978   1.6363247932  -1.2816392812
N   -0.5110990790   2.0152951916  -2.0797105631
N   -1.4833834477   3.8033721418  -1.1336682215
C   -1.0448696081  -0.3545791187   0.1261805955
C   -1.5869241736  -2.0045048707   1.6412199965
C   -1.2084366403  -0.6883802916   2.3278498017
C   -2.9968918084  -2.4670197148   1.9587048065
C   -1.8270270658   0.2542262353  -1.0418089107
C    0.4667848613  -0.3311937732  -0.1177919953
C   -3.4688073449  -3.6750999373   1.1561385923
C    1.3215384443   0.7122372323   0.2327367109
C    1.0332419260  -1.4141519344  -0.7878219101
C   -2.6508568760  -4.9355962945   1.4013331793
C    2.6797606104   0.6694912900  -0.0538589113
C    2.3802107951  -1.4780500224  -1.0952604098
C   -2.0710484531   2.7095696096  -0.7194226133
C    3.1964899706  -0.4267815445  -0.7177495760
C   -0.5333957810   3.3160734710  -1.9530515852
H   -0.8592444692  -2.7850389020   1.8803072434
H   -1.8490618474  -0.4429047121   3.1741053017
H   -0.1681794102  -0.6905694503   2.6696469940
H   -3.6859842802  -1.6302894775   1.8064885242
H   -3.0306100560  -2.7062987702   3.0260608918
H   -2.8921349709   0.1778957784  -0.8227033343
H   -1.6306534068  -0.3087877918  -1.9525070671
H   -3.4692095792  -3.4354357417   0.0901250266
H   -4.5115568415  -3.8695762419   1.4178690562
H    0.4044949884  -2.2421810306  -1.0827356204
H   -1.6220704299  -4.8367405358   1.0517800270
H   -2.6142596770  -5.1827550678   2.4642007124
H   -3.0843756260  -5.7903682665   0.8811292951
H    3.3212462599   1.4892723837   0.2374930538
H    2.7798188680  -2.3361603260  -1.6166801145
H   -2.9057807983   2.6471472072  -0.0399605225
H    0.1620699259   3.9441900833  -2.4870426896
*