! 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   0.6494421307  -1.3533311637  -2.1453034335
Cl   5.3148239112  -1.1657100471   0.4686833697
O   -0.8221848631   1.4517069201   0.9244308810
N   -2.7592025783  -0.6137544278   0.4364150996
N   -4.7994033829   0.1523537026   0.7725793680
C   -0.5160154853   0.3342967882   0.1343565223
C   -1.3508080756  -0.8416095024   0.6444881748
C    0.9542073374  -0.0139015418   0.1985135058
C    1.5647415638  -0.7947654890  -0.7789641330
C    1.7417065307   0.3993649503   1.2670990595
C   -3.4350664930  -0.7788406723  -0.7424575008
C   -3.6161305302  -0.0276082404   1.2985241353
C   -1.0053287180   2.6678831590   0.2092741195
C    2.9001337458  -1.1561382067  -0.7138471270
C    3.0800620525   0.0546363813   1.3633877307
C    3.6469036136  -0.7229676481   0.3683913650
C   -4.6929134704  -0.3078334186  -0.5099001625
C   -2.3420655459   2.7115619934  -0.4631987209
C   -3.3327995517   3.5023178581  -0.0744830053
H   -0.7860512231   0.5133979293  -0.9138339752
H   -1.0667453068  -1.7648040646   0.1409856441
H   -1.1702810782  -0.9889253728   1.7095984044
H    1.3073390587   1.0094125289   2.0464273069
H   -2.9789617460  -1.2220036049  -1.6124386240
H   -3.3306129877   0.2216218382   2.3080268945
H   -0.9254395005   3.4696442880   0.9446954401
H   -0.1970713557   2.8097956199  -0.5173902604
H    3.3448007176  -1.7610182221  -1.4913789303
H    3.6670800977   0.3906666626   2.2064270639
H   -5.5250770231  -0.2878315609  -1.1957722666
H   -2.5018688274   2.0350155984  -1.2978833497
H   -4.2935569583   3.4887072795  -0.5719464442
H   -3.2242339157   4.1922317065   0.7544210810
*