! 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   0.0359572432  -0.9316531632   2.2216291378
Cl   0.1224036309  -5.1569400999  -1.0172609722
O   -0.5636456459   1.3536890574   0.3895302693
O    0.4516973129   1.4571150803  -1.5919427469
N    1.8961473176   2.6561781549   0.5631226733
N    1.5965441334   3.1711597813   1.7578233418
N    1.9856377603   4.8075126541   0.2731115492
C    0.5065063187   0.8410822731  -0.3360199777
C   -1.6183509794   1.6537482404  -0.5195725711
C   -0.8721370629   1.9095773515  -1.8345255407
C   -2.6557303812   0.5477952684  -0.6218372017
C    1.8334251701   1.2402910290   0.3147331097
C    0.4308636368  -0.6798002668  -0.4756475700
C   -3.3684816662   0.2437069370   0.6879625976
C    0.2002934720  -1.5300060630   0.6048790736
C    0.5959484885  -1.2708891216  -1.7243287969
C   -4.3660928566  -0.8948197258   0.5452246628
C    0.1023208773  -2.9039140822   0.4483410393
C    0.5071744751  -2.6402334829  -1.9103915934
C    2.1133341801   3.6408493099  -0.3098030129
C    0.2514719268  -3.4461765818  -0.8158470280
C    1.6692638443   4.4557587952   1.5312368443
H   -2.0969062848   2.5652965986  -0.1541571196
H   -1.3155228687   1.3635003602  -2.6712189581
H   -0.8373617115   2.9684985111  -2.0944771537
H   -2.1976873653  -0.3647718955  -1.0177202118
H   -3.3893629937   0.8659197742  -1.3697324133
H    2.6508267123   0.9526280358  -0.3460680340
H    1.9855867896   0.7299004361   1.2618843026
H   -3.8828060527   1.1435761518   1.0387964586
H   -2.6371691387  -0.0123738395   1.4572691563
H    0.7928959926  -0.6496679586  -2.5861351829
H   -3.8686670195  -1.8192930587   0.2449827188
H   -4.8839050098  -1.0919290028   1.4845578675
H   -5.1243483424  -0.6714061259  -0.2076882534
H   -0.0859821729  -3.5378320403   1.3034010009
H    0.6333693065  -3.0639597489  -2.8966288057
H    2.3830295466   3.4689137846  -1.3389608265
H    1.4908081705   5.1753593393   2.3148831140
*