! 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  -5.3456321424   4.5176100895   1.2305588749
O    1.7934379548   1.2548136125   0.7118255602
O    0.4915573948  -2.6697927722   0.6343324748
N    1.9256588410  -0.9573862285   0.2295828947
N    2.4271389520  -3.1461444075  -0.4499010409
N    4.0785592375  -4.5759745967  -0.7155739048
C    1.1187897726   0.0440262712   0.9817101694
C    3.0769876729  -0.3066858289  -0.4470151568
C    2.5440722685   1.1230907648  -0.4725689740
C   -0.3434507200   0.1384483526   0.5285391773
C    1.1934309548  -0.2029744736   2.4803447467
C    4.3485112587  -0.3715387639   0.3940822855
C    3.3374255341  -0.7694593068  -1.8730638566
C   -0.5965903751   0.2585729475  -0.9683907185
C    1.5322023287  -2.2308583152   0.1853269714
C   -2.0843692258   0.1389811777  -1.3136466532
C   -2.9215545588   1.2190896788  -0.6888818121
C    2.1605378057  -3.8305487624  -1.6095522992
C    3.5849874871  -3.6456338855   0.0520683592
C   -2.9197079719   2.5094603689  -1.2152263499
C   -3.6907198788   0.9751656078   0.4451810066
C    3.2021769245  -4.6911099278  -1.7620794677
C   -3.6591113956   3.5279907311  -0.6341047896
C   -4.4372621723   1.9806562524   1.0435901846
C   -4.4133454236   3.2523227914   0.4961005768
H    3.3484509801   1.8586883062  -0.4648144272
H    1.9347700599   1.2969421864  -1.3660451509
H   -0.7516544075   1.0144734619   1.0399139611
H   -0.8933479317  -0.7163482416   0.9206176227
H    2.2279918536  -0.2485916966   2.8203653511
H    0.6987153654  -1.1316889331   2.7564709962
H    0.6938400297   0.6067604367   3.0130594314
H    5.1209260171   0.2412049369  -0.0716755837
H    4.7449430405  -1.3818896401   0.4671165822
H    4.1896370837   0.0046367499   1.4047421380
H    3.9230293126   0.0011423537  -2.3772444463
H    3.9162875917  -1.6887722235  -1.9318697460
H    2.4131083571  -0.8970360142  -2.4376906270
H   -0.2245585291   1.2130465865  -1.3484411635
H   -0.0654514131  -0.5235792936  -1.5177951103
H   -2.4494331938  -0.8404855954  -0.9953198009
H   -2.1924607591   0.1755180391  -2.3999098974
H    1.2924593315  -3.6294273108  -2.2144959311
H    3.9872877228  -3.3289274688   1.0006934043
H   -2.3346083054   2.7291610837  -2.1003265343
H   -3.7147316200  -0.0188179738   0.8748530084
H    3.3669834453  -5.3860078447  -2.5695537321
H   -3.6484777714   4.5214679176  -1.0613893159
H   -5.0293233476   1.7690383442   1.9235457696
*