! 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  -5.3713524845  -0.6620006979   0.3013533853
O    3.0171866232  -0.1334166525  -1.4285128840
O    0.4049794465  -0.3842117922  -0.6339505049
N    1.2462711556   1.6769382927   0.0436071698
N    1.1532376046   2.5028151658   1.0910626614
N    1.2339764475   3.6663074034  -0.8230796890
C    2.9975051414  -1.7266427237   0.4640848485
C    2.7116819214  -0.3008153037  -0.0655688520
C    1.3063603512   0.2364551786   0.2319116858
C    2.7574671624  -1.7626224261   1.9746011127
C    2.1590139078  -2.8178897478  -0.2052162003
C    4.4792585458  -2.0193101572   0.2040010690
C    1.2955811040   2.3838566599  -1.0882053410
C   -0.9258453366  -0.3884618003  -0.3532461795
C    1.1533774127   3.6781382393   0.5209020733
C   -1.7205642898  -1.1126739214  -1.2374161285
C   -1.5076418755   0.2578463310   0.7303712327
C   -3.0860454755  -1.1974462970  -1.0396686272
C   -2.8797058593   0.1688919614   0.9291100994
C   -3.6604252068  -0.5556941008   0.0481611435
H    3.3935595284   0.3631035779   0.4755971357
H    1.0599330028   0.0713674432   1.2831999167
H    3.2897491728  -0.9594337354   2.4891614890
H    1.7008232603  -1.6868583447   2.2378321211
H    3.1146728700  -2.7069759315   2.3878785170
H    2.2378797007  -2.8051198998  -1.2948196657
H    1.1025992396  -2.7630635881   0.0557622174
H    2.5174441491  -3.7971548316   0.1180100741
H    4.7564871592  -2.9758932558   0.6510833932
H    5.1232322213  -1.2530961038   0.6423870247
H    4.7085326501  -2.0795192429  -0.8603833837
H    2.4924556301  -0.7513161991  -1.9508524475
H    1.3623760067   1.9449032926  -2.0689912081
H    1.0839656281   4.5850466056   1.1000903270
H   -1.2681623911  -1.6156578212  -2.0819367757
H   -0.9339092659   0.8432703882   1.4350401063
H   -3.6930868988  -1.7644784257  -1.7316916681
H   -3.3236391966   0.6750804558   1.7750587208
*