! 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   5.1025675984   4.5489745356  -0.3640848473
O   -0.8133088891  -1.5158606191   1.4665583822
N   -1.4520590200  -3.5309101271  -0.5457857660
N   -2.4613657233  -3.6665668015  -1.4113752435
N   -2.7268841558  -5.0690156756   0.3186668079
C   -0.8043357055  -1.2141731748   0.0880018493
C   -2.1359744406  -0.5877983866  -0.4572451099
C    0.3049776616  -0.1688760782  -0.2177977089
C   -1.7632865752   0.8282869961  -0.9041334201
C   -0.3120643357   0.6758306556  -1.3341488002
C   -3.3815685770  -0.7103395602   0.4346202486
C   -0.4476447483  -2.4980901419  -0.6821947767
C    0.6978295471   0.6752102960   1.0054973423
C   -3.4266080640   0.2737084270   1.6015478050
C   -4.6440612819  -0.5670332386  -0.4109170725
C    1.7904553026   1.6534656683   0.6800616992
C   -1.6305150972  -4.3657485618   0.4793218618
C    3.1090843763   1.2205576439   0.5524471681
C    1.5226860167   3.0042492699   0.4770324545
C    4.1312486696   2.0999277997   0.2321578729
C    2.5312204939   3.9022142056   0.1549176263
C   -3.1920524565  -4.5964243672  -0.8516678003
C    3.8304003764   3.4388806781   0.0342843996
H   -2.3738334211  -1.1346844450  -1.3742332899
H    1.2113385148  -0.6739761428  -0.5691906216
H   -1.8393816653   1.5475010158  -0.0850994171
H   -2.4072278079   1.1911620554  -1.7065238217
H   -0.2614068591   0.1348502259  -2.2834957993
H    0.2027667990   1.6252013803  -1.4867224016
H   -3.4152017792  -1.7297619417   0.8459232954
H    0.4942132785  -2.9003224047  -0.3076655482
H   -0.3212456259  -2.2984351013  -1.7455667849
H    1.0451299854   0.0182422141   1.8034932663
H   -0.1676574029   1.2120885407   1.4003802936
H   -1.6635849003  -1.8958360618   1.7121166297
H   -2.5101160543   0.2789152144   2.1908235808
H   -3.5987417751   1.2938532420   1.2538792554
H   -4.2478951190   0.0236141673   2.2752435119
H   -4.6929841108   0.4114758075  -0.8932944877
H   -5.5400737227  -0.6730382987   0.2029949158
H   -4.6864557204  -1.3286847773  -1.1911913727
H   -0.9325588870  -4.4523747719   1.2967183095
H    3.3500938549   0.1762403227   0.7118108764
H    0.5082419497   3.3713447696   0.5753756010
H    5.1484798945   1.7438510576   0.1425486088
H    2.3012795861   4.9480809543   0.0036404619
H   -4.0989946123  -4.9536848900  -1.3134410691
*