! 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  -2.5560893102  -2.6533897585   0.0280959798
Cl  -4.2491548759   2.4636177488  -0.5177023280
O   -0.0887078899  -1.3955159048   0.9464574809
O    2.1717155737  -1.1533104238  -1.7515267852
N    2.3595195059  -0.3370565831   0.3687641391
C    0.6510359088  -1.9906330884  -0.1198900021
C   -1.0510416842  -0.5035040948   0.5795859600
C    1.7980388854  -1.0980575566  -0.5916095224
C    1.1882119220  -3.3204368874   0.3715663828
C   -3.3184202245  -0.0783518911  -0.2421295984
C   -2.2880688031  -0.9486674046   0.1191128489
C   -0.8320711678   0.8586629610   0.7027029638
C    3.4102666243   0.5849768421   0.2755482038
C   -3.0466671706   1.2835316446  -0.1055546823
C   -1.8319185475   1.7521951465   0.3671718486
C   -4.6225292167  -0.6177720836  -0.7372820653
C    4.1492068427   0.8262216150  -0.8820806838
C    3.7120043572   1.2972306419   1.4383964936
C    5.1671086924   1.7712424552  -0.8570687268
C    4.7302733886   2.2335380796   1.4479381949
C    5.4667647751   2.4790668799   0.2963481757
H    0.0105239624  -2.1516342798  -0.9914055105
H    1.8258347820  -3.1971185323   1.2471531354
H    1.7714594889  -3.8032113893  -0.4109628938
H    0.3632438089  -3.9819765586   0.6333537116
H    1.9502825680  -0.4133307483   1.2891212369
H    0.1120075267   1.2295552264   1.0772229255
H   -1.6595819855   2.8139213626   0.4713055777
H   -5.1020980093  -1.2375919793   0.0208269454
H   -4.4751198039  -1.2412317801  -1.6194019392
H   -5.3172566304   0.1723179676  -1.0044234340
H    3.9480178850   0.2940836267  -1.7966110488
H    3.1439136664   1.1150914220   2.3434205570
H    5.7330510498   1.9489179159  -1.7620925608
H    4.9456809108   2.7722384109   2.3609262318
H    6.2633357694   3.2105560869   0.3001732735
*
