! 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   0.1486843396  -1.5938389542  -1.9580362955
Cl   4.8067135055   0.4719778445  -0.4047129581
O   -1.6910992136  -1.2004477043   0.3221412693
O   -1.5223385003   0.6027463029   1.6073762260
N   -1.3109617526   2.2238551245  -0.8589368912
N   -0.3795123415   2.4785183247  -1.7828596364
N   -0.5982158155   4.2219164947  -0.3873520728
C   -1.1820644560   0.0915828293   0.3459443240
C   -1.4715008461  -1.7362336051   1.6233963239
C   -1.5691954682  -0.4918249952   2.5162674732
C   -2.4924130976  -2.8072036225   1.9292556991
C   -1.8992060820   0.9156204705  -0.7273436404
C    0.3348221426   0.1296295865   0.1574443152
C   -2.3871384984  -4.0357636511   1.0346888410
C    0.9974635732  -0.5751315987  -0.8448574394
C    1.1058941788   0.9561827720   0.9689515407
C   -3.4168743764  -5.0947753391   1.3967844419
C    2.3696427819  -0.4824610722  -1.0207523789
C    2.4760775282   1.0760500547   0.8116934815
C   -1.4181990109   3.2642240179  -0.0301684666
C    3.0969861224   0.3473678160  -0.1860108916
C    0.0117959216   3.6822038088  -1.4598042938
H   -0.4620236202  -2.1632911367   1.6767639261
H   -2.5132954135  -0.4467486564   3.0634955115
H   -0.7490245861  -0.4424887427   3.2353806692
H   -3.4965598065  -2.3749516909   1.8672761030
H   -2.3493481488  -3.1049311804   2.9724859131
H   -2.9526303374   1.0136912644  -0.4659205348
H   -1.8363524077   0.4235445519  -1.6947851063
H   -1.3812619327  -4.4577139035   1.1171251163
H   -2.5131450064  -3.7475221755  -0.0116020439
H    0.6294064428   1.5316888303   1.7497302523
H   -3.3237393518  -5.9753132991   0.7603349411
H   -3.3025932827  -5.4230223765   2.4316347533
H   -4.4336397669  -4.7140884010   1.2836988603
H    2.8591298767  -1.0468581366  -1.8021191619
H    3.0423087814   1.7292554081   1.4603684625
H   -2.1107987896   3.2917394719   0.7954473116
H    0.7672241838   4.2000876221  -2.0294696051
*
