! 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   2.1665630717  -0.6837248587  -1.9369070726
Cl   0.6979642867  -5.4118608997   0.0249905637
O   -0.8490762749   0.9795446143   0.9829205727
O    0.0363959236   1.1870848892  -1.0599367171
N    1.4475818772   2.6484705059   0.8885055768
N    2.0022887779   3.4162637179  -0.0535114696
N    0.8622647044   4.6743933511   1.4146242275
C    0.2525321582   0.6191962527   0.1941308034
C   -1.8984425845   1.4801582256   0.1510872190
C   -1.3662136980   1.2064607145  -1.2499485240
C   -3.2176027916   0.8079295196   0.4666609618
C    1.5106109014   1.2120248381   0.8340621229
C    0.3736419483  -0.9030702702   0.1204199729
C   -4.3667314644   1.4011006696  -0.3408251271
C    1.1989342950  -1.5550415908  -0.7952291614
C   -0.3339359868  -1.7001292617   1.0153120671
C   -5.7002183864   0.7506904316  -0.0083047628
C    1.3034356816  -2.9374040918  -0.8336007398
C   -0.2472614923  -3.0820223601   1.0021262327
C    0.7645014965   3.4098711730   1.7444257989
C    0.5728987281  -3.6895696485   0.0690118481
C    1.6286742694   4.6141450583   0.3095050459
H   -1.9824081787   2.5597339648   0.3244363434
H   -1.7277210654   0.2458002751  -1.6393096920
H   -1.6093605326   1.9864361269  -1.9690578164
H   -3.4323609182   0.9195106759   1.5330623497
H   -3.1369847287  -0.2658542036   0.2683023310
H    2.4068238496   0.9348358416   0.2848814161
H    1.6116619053   0.8200151788   1.8456823332
H   -4.1692837224   1.2918994663  -1.4114586788
H   -4.4261747611   2.4764403879  -0.1499681176
H   -0.9758709240  -1.2361762782   1.7496254781
H   -5.6864681380  -0.3178222691  -0.2297330077
H   -5.9436028671   0.8645051802   1.0495787822
H   -6.5133290885   1.1954359240  -0.5826477080
H    1.9475233608  -3.4153491948  -1.5583306273
H   -0.8141446033  -3.6677550788   1.7116633588
H    0.2365640250   3.0120973909   2.5955522731
H    1.9299491986   5.4887777947  -0.2451958310
*