! 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   0.0242966326  -1.3031015527   2.0357952193
Cl   1.4733000713  -5.3409422059  -1.1246492253
O   -0.8704900901   0.7735379671   0.1696445310
O    0.2710983371   1.1842746428  -1.7238763322
N    1.1756070419   2.5614208841   0.6930108697
N    1.3805917823   3.6193522464  -0.0969828534
N    0.2544285009   4.2227442656   1.7489833485
C    0.3537077817   0.5623573449  -0.4727890511
C   -1.7108876612   1.5760960315  -0.6592057968
C   -1.1033036144   1.3485302496  -2.0286152811
C   -3.1536569775   1.1481973504  -0.5202642306
C    1.5081452386   1.2192915818   0.3007680448
C    0.6143720722  -0.9335179960  -0.6112916897
C   -3.7200161606   1.2813267872   0.8909585221
C    0.4939557747  -1.8269293128   0.4528041129
C    1.0207648976  -1.4531894897  -1.8357339799
C   -3.7145690302   2.7040193409   1.4315623743
C    0.7565107442  -3.1802170268   0.3051059802
C    1.2842938503  -2.8012719074  -2.0135584799
C    0.4891250495   2.9338059211   1.7746147625
C    1.1475879754  -3.6552750942  -0.9345991016
C    0.8178112666   4.5855888560   0.5801028756
H   -1.6009565732   2.6320109234  -0.3797756740
H   -1.5140599845   0.4545777073  -2.5133668915
H   -1.2161594209   2.1968895724  -2.7012247611
H   -3.2544642494   0.1139063277  -0.8610604906
H   -3.7431732245   1.7620794309  -1.2086029394
H    2.4067818107   1.2370623962  -0.3134477191
H    1.7441003737   0.6556349170   1.2009222815
H   -3.1689703811   0.6263303830   1.5699513934
H   -4.7466603153   0.9083845280   0.8788080275
H    1.1357333325  -0.7923275866  -2.6828326826
H   -2.7035910524   3.0951136758   1.5569929857
H   -4.2501271585   3.3848174024   0.7666016530
H   -4.1980737192   2.7518050718   2.4079399478
H    0.6561274021  -3.8503606661   1.1474353247
H    1.5922895533  -3.1713857797  -2.9811488992
H    0.2064677955   2.2461142631   2.5556638379
H    0.8185828056   5.6021136935   0.2193949899
*