! 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  -5.1999303658  -0.8547035320   0.8838763740
O    0.4475909448   0.4748675843   0.1695456368
O    5.9685707999  -0.5460864553  -2.0012317655
O    5.3919921895   1.1576519688  -0.6824542032
C    2.6984333269   0.3360805435  -0.5259060178
C    1.3427736383  -0.3351013509  -0.5766406839
C    3.7240335813  -0.4620751618  -1.3107288362
C   -0.8423045644   0.1053871289   0.2924208054
C   -1.6472391020   0.9757790874   1.0449951686
C   -1.3810077446  -1.0460622197  -0.2684601229
C   -2.9857466181   0.6598415658   1.2139313840
C   -1.0630056605   2.2165686716   1.6472736780
C   -2.7267442455  -1.3475830440  -0.0888247108
C    5.0925719008   0.1519409045  -1.2822321523
C   -3.5184567470  -0.4928268794   0.6504861937
H    3.0137052736   0.4299521344   0.5153166647
H    2.6164980058   1.3446510762  -0.9366268839
H    1.3945467028  -1.3419955193  -0.1479032663
H    0.9970492471  -0.4324288447  -1.6117428534
H    3.4218056928  -0.5679589795  -2.3568962167
H    3.8058859492  -1.4825242294  -0.9237005104
H   -0.7751370252  -1.7272013954  -0.8504369668
H   -3.6167701951   1.3231527787   1.7919419025
H   -1.8189221132   2.7733022432   2.1987556362
H   -0.2505177254   1.9868492911   2.3389148329
H   -0.6530385978   2.8816000737   0.8849745944
H   -3.1376946536  -2.2459609687  -0.5290106943
H    6.8410036104  -0.1256293590  -1.9571704347
*
