! 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   1.4701000712   1.1989232830  -1.6166757840
Cl   4.3537481514  -3.0194259893  -0.1095823253
O   -1.3104575606   0.3758425086  -1.1005552408
O   -1.8348197398  -0.7244486649   0.7896835276
N   -1.8416508447   2.1272314718   1.0375215697
N   -2.7933881090   2.0105497646   1.9677399375
N   -3.4259184565   3.4583559359   0.3725123222
C   -0.8442315317   0.0524176038   0.1851408297
C   -0.6555340185   1.3140729766   1.0370993648
C    0.4763101845  -0.7046519992   0.0817395620
C   -2.5766575348  -0.2388979094  -1.3069229658
C   -2.6032182765  -1.3169279917  -0.2469638979
C    1.5490311599  -0.2650264773  -0.6932049297
C    0.6547853268  -1.8785888299   0.8064604955
C    2.7428640615  -0.9671574820  -0.7565327325
C    1.8337406663  -2.6035600503   0.7577656799
C   -2.2393582732   2.9794894501   0.0918172513
C    2.8706789529  -2.1377320927  -0.0296522976
C   -3.7127566036   2.8279707841   1.5273863945
H    0.1728051209   1.9125989833   0.6637161169
H   -0.4192900007   1.0378549413   2.0631305769
H   -2.6265315344  -0.6326323981  -2.3215594733
H   -3.3838357097   0.4875548715  -1.1723842949
H   -3.5999427163  -1.5325525927   0.1330018069
H   -2.1466635853  -2.2482590744  -0.5971471147
H   -0.1470468663  -2.2480003450   1.4295266846
H    3.5582758923  -0.6028439402  -1.3656520799
H    1.9341400849  -3.5152316911   1.3294538728
H   -1.6319356810   3.2364711374  -0.7609811012
H   -4.6324089309   2.9841760494   2.0689688830
*
