! 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   0.5880480100   1.9890396231   1.1972628443
Cl   5.0050258340  -0.2489259144  -0.7281334404
O   -1.4387737871  -1.7257227389  -0.3495451730
O   -1.5534785116   0.0629780132   0.9525947142
N   -1.3706782646   1.7547095332  -1.4475129017
N   -0.2863618603   2.2295296003  -2.0668903011
N   -1.3939191355   3.8877928617  -1.0372366524
C   -1.0265184134  -0.3912664215  -0.2517811936
C   -1.5091090480  -2.2647829191   0.9733470717
C   -1.4089284359  -1.0131855980   1.8636342433
C   -2.7969906389  -3.0502067987   1.1261213397
C   -1.6849409270   0.3520781675  -1.4166118713
C    0.5017038007  -0.3095827108  -0.3033300938
C   -2.8554290175  -3.8203709211   2.4394806902
C    1.2738010561   0.6903259547   0.2848688231
C    1.1786081753  -1.2816644570  -1.0376903278
C   -4.1405866070  -4.6214054113   2.5792020160
C    2.6568698327   0.7102911773   0.1622320207
C    2.5540683952  -1.2817244903  -1.1828359892
C   -2.0093815144   2.7506951708  -0.8314912873
C    3.2845100991  -0.2779020939  -0.5723326585
C   -0.3442099455   3.5050671199  -1.7881981447
H   -0.6508311755  -2.9237677323   1.1436240656
H   -2.2061595667  -0.9434221797   2.6040089926
H   -0.4491414953  -0.9633435808   2.3865664578
H   -2.8816072822  -3.7559366044   0.2946252576
H   -3.6500957547  -2.3674967014   1.0535918258
H   -2.7665149453   0.2445279121  -1.3336540147
H   -1.3748423207  -0.0917413470  -2.3609904014
H   -2.7663265356  -3.1312934106   3.2846649667
H   -1.9957400593  -4.4934555089   2.5035802740
H    0.6168413976  -2.0710098932  -1.5167452615
H   -4.2374061348  -5.3569020009   1.7786911496
H   -4.1724807374  -5.1601156697   3.5265939433
H   -5.0182339679  -3.9739125714   2.5390628972
H    3.2315698318   1.4951483114   0.6337039584
H    3.0405214136  -2.0542620898  -1.7611459265
H   -2.9185956157   2.6060667127  -0.2703576934
H    0.4001193965   4.1941216661  -2.1550137457
*