! 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  -0.8080537463   2.0104724162  -2.2268725063
Cl  -4.9502675246  -0.6887394802  -0.1200375531
O    0.7396149850   0.6807127075  -0.2301566257
O    5.6223430725  -1.4132287413   1.9835398908
O    3.9932482890  -2.0445551821   0.5985799541
C    3.0400344120   0.6553934222   0.3096112109
C    1.6740165662   0.1222804154   0.6887136289
C    4.1325891225   0.2632333455   1.2917959222
C   -0.5463911080   0.3238849550  -0.1407201712
C    4.5469934984  -1.1784058976   1.2349465423
C   -1.4280150498   0.8971789602  -1.0638705427
C   -1.0655324428  -0.5674434634   0.7934905733
C   -2.7755860681   0.5937696516  -1.0644386776
C   -2.4172956692  -0.8809053498   0.8030587787
C   -3.2626856131  -0.3013274338  -0.1240138731
H    2.9932999702   1.7457478192   0.2868271632
H    3.3025885784   0.3281331187  -0.6985153062
H    1.4178016567   0.4204833495   1.7112849287
H    1.6440654943  -0.9684326791   0.6361761282
H    3.8308686127   0.4850031583   2.3209396975
H    5.0204413347   0.8742810880   1.1152613240
H   -0.4257091249  -1.0328461395   1.5301768927
H   -3.4329408124   1.0511909471  -1.7907391871
H   -2.7956919792  -1.5769791947   1.5384537468
H    5.8557470221  -2.3533265980   1.9421862763
*
