! 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   0.7304919537  -1.2165031714  -2.0430616678
Cl   5.2662718282  -0.7379208885   0.7556662845
O   -1.0848895002   1.3161904549   1.0694641826
N   -2.8480036079  -0.8356826710   0.4289366879
N   -4.6828765394  -0.6457704108  -0.7819975643
C   -0.6615879537   0.2498671008   0.2648744766
C   -1.4383639252  -0.9895582175   0.7016886956
C    0.8275301307   0.0112059320   0.3764267965
C    1.5421435804  -0.6527662067  -0.6162149950
C    1.5339751406   0.4281392725   1.4995793097
C   -3.7799500015  -0.2364417206   1.2299087334
C   -3.4352597274  -1.0360386400  -0.7709004152
C   -1.0458384399   2.5834093305   0.4308817971
C    2.9031378809  -0.8918684479  -0.5168223906
C    2.8945041319   0.2052369421   1.6309835970
C    3.5671637868  -0.4535688075   0.6158920387
C   -4.9075516624  -0.1409286458   0.4700748339
C   -2.0877352258   2.7001164141  -0.6359264656
C   -1.8218545009   3.0518025292  -1.8873293671
H   -0.9088161581   0.4461639181  -0.7871806349
H   -1.0762867832  -1.8725759823   0.1762028702
H   -1.2975514686  -1.1709585479   1.7672312305
H    1.0143988071   0.9467468390   2.2933928231
H   -3.5712785045   0.0437626622   2.2482352697
H   -2.9085733131  -1.4907617144  -1.5964868201
H   -1.2331051135   3.3132238365   1.2211790115
H   -0.0501569227   2.7969452368   0.0232127082
H    3.4309017632  -1.4074883223  -1.3067936460
H    3.4173379288   0.5431684703   2.5145226968
H   -5.8667618356   0.2570231049   0.7610994510
H   -3.1103444074   2.4890144387  -0.3348371100
H   -2.6045668422   3.1502848125  -2.6281490436
H   -0.8102154068   3.2578071437  -2.2178938311
*
