! 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   0.9215120278  -1.3074393043   2.5747761205
Cl   4.1048116613  -1.5086553541  -1.6903841291
O   -2.1763615461   0.2112410567  -0.3332750604
O   -1.8138642477  -1.0173579289   1.5049045294
N   -0.3799886930   2.2797935083   0.7888869627
N   -0.9634954080   3.0242631168  -0.1541172454
N    1.2466429964   3.4179272722  -0.0972544067
C   -1.2566649851  -0.0236559834   0.6820451689
C   -2.8508547874  -1.0221506833  -0.5723167398
C   -2.9194848814  -1.6047761620   0.8306840847
C   -1.0925740105   1.2585822917   1.5106061829
C    0.0887539195  -0.4671516830   0.1063030747
C   -4.1879808959  -0.7685300338  -1.2272648151
C   -4.0716910562  -0.1845283004  -2.6265451767
C    1.1081673469  -1.0248049261   0.8754289994
C    0.3663498162  -0.2286653994  -1.2367620011
C    2.3418923034  -1.3519878982   0.3326223350
C    1.5869592800  -0.5464106792  -1.8067583365
C    0.9330764228   2.5160281550   0.7982742215
C    2.5676751528  -1.1096934606  -1.0104026095
C    0.0485805549   3.6862029898  -0.6493534081
H   -2.2372960200  -1.6629442219  -1.2202375013
H   -3.8498916604  -1.3304798250   1.3379136817
H   -2.8261248054  -2.6911272206   0.8352143925
H   -0.5384508616   1.0445866303   2.4219754649
H   -2.0714874524   1.6385397644   1.7986933573
H   -4.7850918913  -0.1141111659  -0.5862344074
H   -4.7159796543  -1.7244345985  -1.2715025508
H   -3.4955888402  -0.8399047212  -3.2820309063
H   -5.0568039405  -0.0556825674  -3.0746123041
H   -3.5847548491   0.7908990743  -2.6200420295
H   -0.3899685169   0.2210868512  -1.8641501035
H    3.1140293989  -1.7832011368   0.9543465297
H    1.7638281067  -0.3508448326  -2.8548588470
H    1.6122442938   2.0317087400   1.4824710289
H   -0.0853556793   4.4091836952  -1.4386798650
*