! 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  -5.1282836549  -1.0456380631   0.9552856998
O    0.4410903220   0.5186505930   0.0903971066
O    5.1742786447   1.0112519124  -2.2060007143
O    6.0333947265  -0.0483244236  -0.4410483938
C    2.7117329219   0.3652487285  -0.5681439451
C    1.3952855521  -0.3743932589  -0.4614537810
C    3.7892165264  -0.5623628533  -1.1373216643
C   -0.8275454495   0.0934288753   0.2660368008
C   -1.7118798749   1.0320583745   0.8207673088
C   -1.2714327021  -1.1807263784  -0.0670372867
C   -3.0310574368   0.6582707840   1.0239286558
C   -1.2360795681   2.4052941541   1.1832136015
C   -2.5979810734  -1.5384969264   0.1430161530
C    5.1165379404   0.1337558937  -1.2080592209
C   -3.4680577831  -0.6159936936   0.6868171207
H    3.0141746920   0.7193908173   0.4199536255
H    2.5877673289   1.2392071855  -1.2101875886
H    1.5038699433  -1.2573298766   0.1778780543
H    1.0723971544  -0.7155999024  -1.4511355388
H    3.5006465563  -0.8987193448  -2.1355200261
H    3.8979835041  -1.4432744352  -0.5051813021
H   -0.6042710501  -1.9167128304  -0.4937932618
H   -3.7225076061   1.3734455676   1.4509394661
H   -0.4336382239   2.3737376015   1.9220385963
H   -0.8500135115   2.9421226792   0.3151388406
H   -2.0481088238   2.9967213574   1.6028596472
H   -2.9321393045  -2.5320337452  -0.1222188076
H    6.0307713260   1.4657164154  -2.2011495017
*
