! 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  -4.5561823507   1.8097759837  -2.9673581780
O    2.4218881411   1.4005491460   0.4256422622
O    2.5813696965  -2.7717208428  -1.0239782407
N    2.0392181258  -0.7230595729  -0.2090980965
N    1.4986707733  -2.6762614757   0.9694914930
N   -0.0604615575  -3.5674765409   2.2435880121
C    1.8247214598   0.2299023748   0.9303598782
C    2.4604187937   0.0152508889  -1.4254135864
C    2.1689144487   1.4403312099  -0.9590808976
C    0.3278103686   0.4549503628   1.1882385852
C    2.5854748435  -0.1427220138   2.1901210901
C    3.9534168136  -0.1396941456  -1.7060054486
C    1.6218366555  -0.3337914233  -2.6441707894
C    0.0063203382   1.7382401403   1.9433402348
C    2.0968581195  -2.0549984191  -0.1708869173
C   -1.4958545056   1.8699031429   2.2193232174
C   -2.3083410904   1.8684240594   0.9553182229
C    2.1508916087  -3.4856245710   1.8673733822
C    0.1699752686  -2.7797907396   1.2323655610
C   -2.2976226444   2.9733642995   0.1063457337
C   -3.0382851295   0.7495981959   0.5652952625
C    1.1722249285  -4.0036551283   2.6555428550
C   -2.9864013687   2.9665108357  -1.0965348728
C   -3.7340804896   0.7210199858  -0.6354664384
C   -3.6978168182   1.8331697656  -1.4590871273
H    2.8305045281   2.1723045509  -1.4207677659
H    1.1338822668   1.7361636218  -1.1745071791
H   -0.0604471928  -0.3871032274   1.7637461889
H   -0.2110840679   0.4478462874   0.2371730475
H    2.6565024835   0.7336837479   2.8348931535
H    3.5999126273  -0.4692682511   1.9602765096
H    2.0870111327  -0.9188709333   2.7652732203
H    4.5539902191   0.1544601997  -0.8443442919
H    4.2290463294   0.5070586624  -2.5401406616
H    4.2189024526  -1.1580385729  -1.9778289853
H    1.8191055915   0.3952233181  -3.4322450576
H    1.8557649200  -1.3178699754  -3.0445292904
H    0.5549919865  -0.2948948668  -2.4189783341
H    0.5329602432   1.7627166366   2.9003297673
H    0.3425471327   2.6104856084   1.3788081151
H   -1.6684801115   2.7969933486   2.7705430588
H   -1.8215008555   1.0534991272   2.8684204985
H    3.2229110410  -3.5864541954   1.8788701664
H   -0.5763322256  -2.2974819387   0.6212281875
H   -1.7425680780   3.8616639063   0.3837978623
H   -3.0658400739  -0.1244708587   1.2049393516
H    1.2904399162  -4.6663648178   3.4974251517
H   -2.9662009991   3.8354887259  -1.7399908018
H   -4.2917424301  -0.1608230068  -0.9199368316
*