! 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   0.5293625836  -1.0068653683   2.5532584297
Cl   4.3733913686  -1.4072176310  -1.1102464111
O   -2.0939798520   0.0941175083  -0.9521955699
O   -2.0143356388  -1.0334213519   0.9624384834
N   -0.4643340171   2.2257953202   0.5999433376
N   -0.5172372919   2.8040035958  -0.6023784359
N    1.4445146284   3.2454157958   0.3966746500
C   -1.3639033685  -0.0373905038   0.2323026519
C   -2.7286224869  -1.1545747106  -1.2444624280
C   -2.4305447062  -1.9916070852   0.0056228917
C   -1.4492095753   1.2712119720   1.0318705755
C    0.0867991364  -0.4159178497  -0.0801624930
C   -4.2019877229  -0.9324032819  -1.5361621833
C   -4.9911538416  -0.2804294245  -0.4118748420
C    0.9872605171  -0.8553389371   0.8887306746
C    0.5707435879  -0.2763400659  -1.3771531539
C    2.3037306024  -1.1637811515   0.5829441552
C    1.8791844566  -0.5779923726  -1.7138108778
C    0.7141935755   2.4830416571   1.1700304893
C    2.7349272236  -1.0236531127  -0.7239509068
C    0.6420722228   3.4038283227  -0.6723984172
H   -2.2562702397  -1.6048791397  -2.1227995250
H   -3.2986580516  -2.5223770461   0.3954233124
H   -1.6397101304  -2.7242835226  -0.1841053188
H   -1.2772250201   1.0772739823   2.0882688364
H   -2.4473115086   1.6966275920   0.9319955951
H   -4.6312749301  -1.9081316718  -1.7786278698
H   -4.2925378663  -0.3331967077  -2.4457688068
H   -4.6224146154   0.7198014271  -0.1846078813
H   -6.0388144823  -0.1818354322  -0.6967517847
H   -4.9662216450  -0.8640236243   0.5095226062
H   -0.0893314484   0.0782547287  -2.1548521642
H    2.9836746395  -1.5039270027   1.3515796546
H    2.2179654424  -0.4625028778  -2.7336134841
H    0.9834059308   2.1173607384   2.1485548760
H    0.9214584562   3.9897376382  -1.5337151644
*