! 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  -4.2885615164  -0.1670804627  -0.4251473022
O    1.3296483133  -0.2284647524   1.2142573367
O    1.6637701781   0.4826192685  -1.8110117401
O    3.1039339139   1.8500505973  -0.8009371211
C    2.7091062900  -1.6720190793  -0.2157117080
C    2.1503091511  -1.3892331922   1.1655961214
C    3.5326754662  -0.5158697731  -0.7741266090
C    0.0433489133  -0.2857774185   0.8074274820
C   -0.6787533690   0.9125170829   0.9226718825
C   -0.5752642580  -1.4297562382   0.3173708346
C   -2.0107231539   0.9250212037   0.5384126513
C   -0.0257184823   2.1498109297   1.4585321576
C   -1.9105966424  -1.4004392165  -0.0635091723
C    2.7583935837   0.7288104291  -1.0985297759
C   -2.6193375607  -0.2218027937   0.0482756500
H    1.9262150695  -1.9641508065  -0.9165067429
H    3.3644297902  -2.5392956222  -0.1168829176
H    2.9701964838  -1.1788011010   1.8534215472
H    1.6191064195  -2.2604481129   1.5593294188
H    4.0134074840  -0.8390276894  -1.7024636385
H    4.3317861755  -0.2474501491  -0.0832648775
H   -0.0408296292  -2.3639914626   0.2185893343
H   -2.5761075192   1.8437598128   0.6272705178
H    0.8035444357   2.4767530799   0.8298765856
H   -0.7405446340   2.9688891068   1.5124582596
H    0.3751831689   1.9936368494   2.4605867461
H   -2.3767938137  -2.2982435241  -0.4449817542
H    1.2073775487   1.3132857616  -2.0135381748
*
