! 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   3.1174776820   1.9679453172  -0.3702762442
Cl   4.2682849437  -0.9384767264   0.0563532478
O   -3.8398703778   1.2351415737  -0.1042414647
O   -2.5262233340  -1.9576713013  -0.1883378705
N   -1.5463838712   0.1036603856  -0.0294983290
N   -3.8371596275  -0.1369099449   0.0795454707
C   -0.1951054358  -0.2242743861  -0.0237275203
C    0.6953641509   0.8370173512  -0.1899855198
C    0.3165356556  -1.5082948552   0.1677792110
C   -2.6099605651  -0.7442587751  -0.0738096761
C    2.0605483770   0.6245801172  -0.1654497854
C    1.6863501310  -1.7071835940   0.1863295161
C    2.5701932765  -0.6542575223   0.0219152957
C   -5.0275202969  -0.7678131216  -0.4537599790
C   -4.1996317956   1.9080742949   1.0974911465
H   -1.7552567685   1.0902933186  -0.0669147391
H    0.3190879280   1.8410246824  -0.3388648310
H   -0.3296019962  -2.3577415231   0.3096478934
H    2.0691387022  -2.7069553654   0.3381689283
H   -5.9034308497  -0.2977703335  -0.0108814392
H   -5.0441051287  -1.8159689210  -0.1731061875
H   -5.0880889030  -0.6859961616  -1.5412606066
H   -4.2013422677   2.9687543622   0.8547852134
H   -3.4796582133   1.7244088430   1.8971073970
H   -5.1971371051   1.6214797844   1.4367604769
*
