! 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   3.2176439299   0.8385104371   1.4765166076
Cl  -5.5019584144  -0.4070134054  -0.9340537095
O    0.3557607519   0.2523966718   2.0502155932
N    2.3714767085  -2.5152759957  -1.1559827870
N    1.8607025591  -3.3399657861   0.9976618183
C    0.3145448818   0.0813252420   0.6508333795
C   -1.1471897566  -0.0769126696   0.2171822108
C    0.9834408866   1.2658978066  -0.0525377333
C    1.0918373087  -1.1854024550   0.3489612854
C   -2.0876030274   0.8388210533   0.6913902133
C   -1.5875614941  -1.0946160747  -0.6178517501
C    2.2756836999   1.6799354373   0.2894044664
C    0.3446656073   1.9675440916  -1.0715819907
C    1.7102710939  -1.4003383247  -0.8723642171
C    1.1958134456  -2.2217180783   1.2632457316
C   -3.4221384679   0.7482330304   0.3406516005
C   -2.9256682818  -1.2048674242  -0.9758039199
C    2.8816726400   2.7608312532  -0.3315344071
C    0.9432659311   3.0457725213  -1.7069105643
C   -3.8328352703  -0.2812160395  -0.4935184205
C    2.2111909139   3.4506801103  -1.3292622664
C    2.4180704724  -3.4276478636  -0.1991908494
H   -1.7934028008   1.6593508959   1.3339061853
H   -0.9033703397  -1.8332838515  -1.0103013892
H   -0.6435399668   1.6683606968  -1.3897724929
H    0.0762410499   1.1468159261   2.2714378516
H    1.6727454173  -0.6531619551  -1.6568366441
H    0.7356853952  -2.1607267387   2.2405819994
H   -4.1315096234   1.4729375668   0.7155584493
H   -3.2441838596  -2.0106558545  -1.6223206735
H    3.8786891795   3.0602248897  -0.0389431053
H    0.4125552472   3.5631890889  -2.4940580545
H    2.6889962264   4.2935164746  -1.8096510459
H    2.9625435300  -4.3371808816  -0.4190895033
*
