! 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   1.6008480027   1.9788266733   1.8154579470
Cl   4.5438241670  -0.2233064409  -2.0391345365
O   -1.4745915712  -1.0896666645   0.6041842384
O   -0.5999276076   0.0494861433   2.3257674060
N   -1.5399679499   1.4090338926  -0.9215619325
N   -0.6655111042   2.1596789903  -1.5982547500
N   -1.9269195142   0.9576636080  -3.0121084427
C   -0.7139473132   0.0404072180   0.9357492177
C   -1.6481353977  -1.9120548985   1.7616605341
C   -0.6450485274  -1.3080248343   2.7338724644
C   -3.0829345582  -1.8507179661   2.2585177747
C   -1.4844740383   1.2990705046   0.5137349137
C    0.6413734290  -0.0380355843   0.2355826955
C   -4.1326539221  -2.2308613056   1.2198132011
C    1.7102000098   0.7965515866   0.5545328835
C    0.8212718424  -0.9217359524  -0.8240832751
C   -4.0323128386  -3.6717856322   0.7397082976
C    2.9137671408   0.7423958287  -0.1314069729
C    2.0077029733  -0.9919932079  -1.5341111043
C   -2.2709882519   0.6909776227  -1.7761494302
C    3.0488359539  -0.1560164750  -1.1748884568
C   -0.9411869556   1.8589820008  -2.8391950463
H   -1.3725617664  -2.9359296936   1.4981866122
H   -0.9637552663  -1.3500258649   3.7746159795
H    0.3398939136  -1.7797325114   2.6502698135
H   -3.2913212581  -0.8458838077   2.6397106609
H   -3.1611630924  -2.5266234227   3.1160193329
H   -1.0132957347   2.1996273239   0.8989653124
H   -2.4974703448   1.2507815161   0.9135014339
H   -4.0717879834  -1.5509149689   0.3656157846
H   -5.1203016698  -2.0683228446   1.6584167807
H    0.0137748177  -1.5785297345  -1.1126363850
H   -4.8499340919  -3.9154607753   0.0603213632
H   -3.1020818622  -3.8668727751   0.2039597024
H   -4.0828615768  -4.3714099360   1.5765691505
H    3.7285075827   1.3976697816   0.1431701135
H    2.1102034833  -1.6897434638  -2.3531313245
H   -3.0475061269   0.0120758685  -1.4624243343
H   -0.4099208275   2.3153295892  -3.6595030596
*
