! 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   5.3131731035   3.1829332078  -0.6224471513
O   -2.0183569494  -1.1946971021   1.4462534993
N   -0.7310296319  -2.7566605573  -0.5639049121
N    0.3553983242  -2.6087863201  -1.3278882406
N    0.7606657880  -4.0631865606   0.3298489896
C   -1.9672867840  -0.7120561225   0.1183346925
C   -3.1928713897   0.1535861520  -0.2444692587
C   -0.7607604054   0.2511721840  -0.1211755841
C   -2.8102565933   1.5213201471   0.3145133108
C   -1.3604373341   1.6778902502  -0.1365005578
C   -4.5886960605  -0.3841426476   0.1108896750
C   -1.9183481860  -1.9561862975  -0.7635212850
C    0.3716234430   0.0908537295   0.9006932953
C   -5.0130033817  -0.1771732919   1.5625528484
C   -5.6276459860   0.2463611362  -0.8145567237
C    1.5977554689   0.8738662023   0.5211059641
C   -0.4708384439  -3.6168065791   0.4199584845
C    1.9419885690   2.0490935264   1.1818003583
C    2.4278662882   0.4338420864  -0.5091251675
C    3.0780227527   2.7688464699   0.8361373358
C    3.5671768738   1.1357650108  -0.8687832920
C    1.2181173644  -3.4077582121  -0.7529282200
C    3.8835817426   2.3020711607  -0.1882163251
H   -3.1608059524   0.2511778153  -1.3384769317
H   -0.3476309139   0.0325826228  -1.1087947336
H   -2.8759159821   1.5323155667   1.4074881911
H   -3.4550932352   2.3252434003  -0.0427386979
H   -1.3325159585   2.0856052234  -1.1484258494
H   -0.8030185830   2.3717609836   0.4948105039
H   -4.5984049854  -1.4625233305  -0.0847531056
H   -1.9481100565  -1.6739866805  -1.8137292146
H   -2.7839917288  -2.5914273748  -0.5705867839
H    0.6478364592  -0.9608152021   1.0034542647
H    0.0370455989   0.4200930793   1.8877018035
H   -2.0715090547  -0.4515056765   2.0565932514
H   -4.3465379796  -0.6602716220   2.2747032593
H   -5.0695065132   0.8820641190   1.8212392885
H   -6.0080689693  -0.5967368234   1.7227533358
H   -5.6691304287   1.3305566600  -0.6865374067
H   -6.6263461426  -0.1435205787  -0.6100779555
H   -5.4047021092   0.0464176771  -1.8641058567
H   -1.2002016394  -3.9055190384   1.1589802530
H    1.3214687137   2.4133823644   1.9914640936
H    2.1862403441  -0.4801091952  -1.0392545009
H    3.3290165413   3.6775863748   1.3661675593
H    4.2022816441   0.7729160663  -1.6655055852
H    2.2172674367  -3.5317352321  -1.1403125137
*