! 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   0.9493386880   0.5450552494  -2.7041660470
Cl   3.6230968200  -2.8971314717   0.3956466934
O   -0.9273336976   1.9274406865   1.0359268033
N   -2.3149768145  -0.5053961683   0.1844811836
N   -3.0156980392  -1.5549322327   1.9941649652
C   -0.6644600090   1.2967432428  -0.1918303938
C   -1.9330376171   0.5887249635  -0.6770566337
C    0.4669542790   0.3077286083  -0.0419431730
C    1.2197527826  -0.1272075286  -1.1278241957
C    0.7260948365  -0.2875350481   1.1895343236
C   -1.9305508146  -1.8119572000   0.0498831690
C   -2.9436005603  -0.4035500321   1.3761508857
C   -0.7166363849   3.3316556783   1.0425271076
C    2.1970863127  -1.1036675953  -1.0113326535
C    1.6887539517  -1.2699062460   1.3393521495
C    2.4170756144  -1.6695499206   0.2317921928
C   -2.3799856124  -2.4437110258   1.1696003061
C   -1.7102304140   4.0558598518   0.1916824764
C   -1.3739005600   4.8597771362  -0.8095203836
H   -0.4102467246   2.0339510351  -0.9619069414
H   -2.7516641322   1.3064248823  -0.7292190746
H   -1.7882380967   0.2002152673  -1.6837612396
H    0.1569803250   0.0136192318   2.0582382507
H   -1.3909564189  -2.1683704000  -0.8123187718
H   -3.3536371697   0.5282663919   1.7331339665
H   -0.8224681846   3.6373714536   2.0854556725
H    0.3059572244   3.5788475160   0.7338494031
H    2.7699588058  -1.4152283289  -1.8736052855
H    1.8595135584  -1.7202422060   2.3071366620
H   -2.2818473423  -3.4877999013   1.4228704564
H   -2.7579517434   3.8994404582   0.4335805266
H   -2.1204277318   5.3782893750  -1.3974417623
H   -0.3373418328   5.0317688823  -1.0784338418
*