! 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  -0.0777417257  -0.4649691019   1.7521542113
Cl   1.9027180992  -4.1703883337  -1.4983040515
O   -1.3704971117   1.5494675936   0.0905022329
O   -0.9263847724   1.7935071486  -2.0727340291
N    1.5303217003   2.1462662205   0.6022408901
N    1.1765782102   2.6397988428   1.7912196806
N    2.9902973050   1.3318848423   1.9904243380
C   -0.3555579982   1.4100097231  -0.8523144403
C   -2.6260697195   1.3204516797  -0.5579838953
C   -2.2562875520   1.3035838550  -2.0461672973
C   -3.2991574851   0.0447620393  -0.0928698285
C    0.7756630372   2.4113919374  -0.5926987442
C    0.1808536788  -0.0227846171  -0.9461007756
C   -3.7664628982   0.0849664477   1.3554682968
C    0.3368283640  -0.8952490761   0.1304156039
C    0.6028637940  -0.4785031623  -2.1943433192
C   -4.3738603477  -1.2357318985   1.8006171626
C    0.8609770397  -2.1709639664  -0.0349520429
C    1.1313527726  -1.7421251694  -2.3864086464
C    2.6040092340   1.3661582891   0.7401876918
C    1.2507650910  -2.5838015631  -1.2948386450
C    2.0775589807   2.1238244046   2.5837615513
H   -3.2657214379   2.1773718833  -0.3267152938
H   -2.3102577444   0.2921661335  -2.4647827201
H   -2.8820956754   1.9601132083  -2.6483230818
H   -2.6252153243  -0.8034257912  -0.2528416138
H   -4.1623612448  -0.1267016953  -0.7451808111
H    0.3615025567   3.4161897877  -0.5221554205
H    1.4622884052   2.3904372069  -1.4386337780
H   -4.5008207749   0.8869799173   1.4746776684
H   -2.9278922199   0.3345649937   2.0084637663
H    0.5149869624   0.1703950610  -3.0543906740
H   -5.2229987541  -1.5173887114   1.1749333331
H   -3.6422413178  -2.0439878374   1.7443934321
H   -4.7276679726  -1.1850315508   2.8309635484
H    0.9643392459  -2.8282171286   0.8169416249
H    1.4410722826  -2.0576275426  -3.3724940249
H    3.0784310792   0.8680270063  -0.0909194406
H    2.0842009276   2.3358548071   3.6413089026
*
