! 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   5.1848356634   0.9577570547   0.5363409619
O   -1.3168213654   0.3251145560  -1.5008168205
N   -0.4670061522  -2.1538277623  -0.1364231954
N   -0.2672165244  -2.3129834269  -1.4486688479
N   -0.5823156438  -4.2999897212  -0.4673054321
C   -1.5925523561   0.0744751679  -0.1389573502
C   -3.0613288386  -0.4321400452   0.0309870132
C   -1.5959643815   1.4417650862   0.5959964620
C   -3.8407589910   0.8660932315  -0.2107356390
C   -3.0553311536   1.9483724150   0.5269002203
C   -0.5157102240  -0.8374514214   0.4656225346
C   -0.6188881329   2.4970252664   0.0634881262
C   -3.3272103580  -0.9279800440   1.4552620249
C   -3.5005431346  -1.5121137070  -0.9535370388
C    0.8349548149   2.1330482989   0.1642511992
C   -0.6584822457  -3.3423765390   0.4296131482
C    1.5647173946   1.7280139117  -0.9500149282
C    1.4857761758   2.1721418679   1.3959697697
C    2.9000264089   1.3663916928  -0.8461096906
C    2.8188619172   1.8124969455   1.5221159802
C   -0.3502916986  -3.6124358841  -1.5975846860
C    3.5156243508   1.4084331697   0.3940389470
H   -1.3357127037   1.2580227682   1.6430709064
H   -4.8775139818   0.7862030826   0.1228978075
H   -3.8687401790   1.0820009545  -1.2814079823
H   -3.1196401970   2.9108626595   0.0160465227
H   -3.4492562330   2.1067040420   1.5320183597
H   -0.6793667602  -0.9809086802   1.5314967299
H    0.4665092312  -0.3797303421   0.3516609548
H   -0.7907430431   3.4034466796   0.6504231742
H   -0.8701946680   2.7518032366  -0.9666565354
H   -4.3988196044  -1.0795533825   1.5987074547
H   -2.8472221059  -1.8871868304   1.6581308926
H   -2.9973275732  -0.2293941571   2.2259853050
H   -3.0309727192  -2.4798274520  -0.7722767692
H   -4.5770804337  -1.6702528490  -0.8574836916
H   -3.3136159396  -1.2311001410  -1.9900498925
H   -1.0605025308  -0.5060216540  -1.9260973284
H   -0.8314505524  -3.4688412133   1.4865390124
H    1.0847591960   1.6841855059  -1.9183994338
H    0.9459718139   2.4923059179   2.2794547358
H    3.4491426906   1.0534526329  -1.7238317851
H    3.3064891862   1.8530770417   2.4867155951
H   -0.2292204419  -4.0802301544  -2.5618192940
*