! 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   1.7457509441  -0.7293105080  -1.9845633797
Cl   0.2623233822  -5.3519251690   0.2055191611
O   -0.8695205045   1.1226656302   1.1938330614
O   -0.1725289593   1.2109012095  -0.9405728056
N    1.6370542038   2.6107092008   0.7069986920
N    1.1668311456   3.4713470782   1.6142727934
N    1.9636401899   4.5706707159  -0.1743160637
C    0.1314204455   0.6878381427   0.3193047215
C   -1.8187308967   1.9481118143   0.5207087441
C   -1.1172204486   2.2585369940  -0.7955576121
C   -3.1806513057   1.2873036500   0.3842331431
C    1.4950727439   1.1858503675   0.8367079366
C    0.1768612252  -0.8333946061   0.2576060933
C   -3.2539397418   0.0196513020  -0.4576100968
C    0.8607061853  -1.5359405958  -0.7327582630
C   -0.4492409885  -1.5803609745   1.2507839672
C   -4.6842416074  -0.4842065467  -0.5849253479
C    0.8889072427  -2.9225810206  -0.7590457459
C   -0.4315864839  -2.9645200140   1.2533838568
C    2.0936879410   3.2790744666  -0.3527564169
C    0.2340529061  -3.6249141827   0.2363857491
C    1.3883239226   4.6263072397   1.0421686313
H   -1.9381506832   2.8580150746   1.1128257196
H   -1.7890751192   2.2425032598  -1.6542470765
H   -0.6293247595   3.2377591246  -0.7751267538
H   -3.8470349708   2.0442578283  -0.0425358525
H   -3.5705905829   1.0819399345   1.3858474474
H    2.3094891003   0.7226200761   0.2831131603
H    1.6154607868   0.9082745045   1.8826744648
H   -2.6399999095  -0.7640040656  -0.0107956441
H   -2.8476809329   0.1959918189  -1.4571965868
H   -0.9766431199  -1.0738066637   2.0459212386
H   -4.7307619596  -1.4055662292  -1.1663738708
H   -5.1204490427  -0.6919098416   0.3940319609
H   -5.3229794137   0.2498359814  -1.0795362274
H    1.4172162278  -3.4416707358  -1.5463182843
H   -0.9341855758  -3.5117808271   2.0381286836
H    2.5189643443   2.7897752185  -1.2145837196
H    1.1338499753   5.5540001788   1.5300845340
*
