! 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   5.4840456551   0.9300237934  -0.0102073853
O   -1.0983589373   0.4030902164   1.2066238403
N   -0.3091026509  -2.0658527476  -0.2224567315
N   -0.0889742462  -2.2744250301   1.0799178180
N   -0.5814858210  -4.2050780677   0.0573842782
C   -1.3307486206   0.2210352154  -0.1728664978
C   -2.7988547713  -0.1880468554  -0.4535223366
C   -1.1951490268   1.5974178211  -0.8914817799
C   -3.5385354618   1.1442269809  -0.3507088073
C   -2.6346604773   2.1231290181  -1.0893198756
C   -3.4298244879  -1.3407699220   0.3551892595
C   -0.2923697877  -0.7314592105  -0.7830830557
C   -0.2971396932   2.6204224271  -0.1853849462
C   -3.9378753655  -0.9485567781   1.7408852943
C   -4.5720623546  -1.9618196807  -0.4461454020
C    1.1518561924   2.2257312925  -0.1132562057
C   -0.6109180592  -3.2192396672  -0.8117376832
C    1.9480510684   2.2873339858  -1.2557244786
C    1.7349133604   1.7672984083   1.0647812024
C    3.2776687940   1.8946920811  -1.2364764531
C    3.0636536248   1.3706037344   1.1066014750
C   -0.2703944983  -3.5675332839   1.1975026255
C    3.8235924550   1.4321609949  -0.0496981697
H   -2.8236201510  -0.4881033551  -1.5108050255
H   -0.7588296701   1.4142024016  -1.8783835432
H   -3.6344582941   1.4420052764   0.6956324182
H   -4.5469638431   1.1035371266  -0.7655681315
H   -2.8816065598   2.1395367943  -2.1521892155
H   -2.7493117862   3.1454536843  -0.7242741057
H   -2.6887166787  -2.1298595692   0.5005254328
H    0.7108793271  -0.3245434003  -0.6528200879
H   -0.4662218782  -0.8374344498  -1.8523177287
H   -0.6817715759   2.8372133122   0.8118078828
H   -0.3741053738   3.5529778853  -0.7509223692
H   -0.8734575949  -0.4515625358   1.6007809734
H   -4.7848579064  -0.2624938669   1.6818108226
H   -4.2826443573  -1.8362696285   2.2745617605
H   -3.1719670852  -0.4761310320   2.3528951660
H   -5.3561980864  -1.2308106002  -0.6562731026
H   -5.0330771844  -2.7858539047   0.1015568588
H   -4.2232575788  -2.3568888696  -1.4020761946
H   -0.8321190073  -3.2988856461  -1.8643298520
H    1.5258959284   2.6490726634  -2.1860548378
H    1.1454187376   1.7123212710   1.9695572504
H    3.8767026417   1.9510151765  -2.1352692243
H    3.4962142347   1.0161326190   2.0324438516
H   -0.1596847981  -4.0682788775   2.1464025952
*