! 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  -0.9309669301  -1.3924957816   2.5095890672
Cl  -4.1758303758   1.2077936446  -0.8731356266
O    0.6495306756  -3.0392033337  -0.8309034303
N    1.5853314858  -2.3518092910  -0.1148495733
N    3.3880896501   2.2259124075  -1.2910897287
C    2.0976256753  -0.3686302263   1.1046916584
C    1.1583055281  -1.2319391834   0.3121255611
C   -0.1863782425  -0.6856189712   0.0137764203
C    2.2850760262   0.9598204080   0.4246896896
C   -1.1996551530  -0.6688574825   0.9624749689
C   -0.4410859718  -0.1106554373  -1.2273941490
C    1.5140947822   2.0675512340   0.7513028026
C    3.2017852642   1.1017929713  -0.6102232438
C   -2.4335057591  -0.0918960696   0.7058886174
C   -1.6622191073   0.4727654593  -1.5138389901
C   -2.6466065612   0.4773264710  -0.5378646642
C    1.6950671686   3.2475807750   0.0486899909
C    2.6420685466   3.2756107672  -0.9615129848
C    1.2062703795  -4.2384034916  -1.3380829518
H    1.6941060963  -0.2132679383   2.1083178984
H    3.0501889877  -0.8869495859   1.2177870625
H    0.3355103468  -0.1070731888  -1.9809191080
H    0.7818347492   2.0109492891   1.5478742903
H    3.8201492181   0.2579259177  -0.8997213959
H   -3.2081647855  -0.0894361962   1.4599853434
H   -1.8393468985   0.9186644536  -2.4822380237
H    1.1136118908   4.1297681015   0.2775489524
H    2.8073842598   4.1837851411  -1.5286194855
H    1.5334338776  -4.9065722450  -0.5387469435
H    2.0448109189  -4.0452750831  -2.0103133528
H    0.4117534228  -4.7256557022  -1.8999643989
*
