! 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  -0.1899945689  -1.2481377664   2.8156103663
Cl  -4.4429065115  -1.6187702576  -0.4229735429
O    3.5001301888  -0.8730492451  -0.1088193229
N    2.1989325306  -1.2687338369  -0.1911621779
N   -0.2149168019   3.5327753969  -0.9441422520
C    1.7042414362   0.8972137536   0.9312891756
C    1.3803167649  -0.4426888440   0.3261745425
C   -0.0528867950  -0.7769665420   0.1584615248
C    1.3810914421   1.9545415396  -0.0901370768
C   -0.8710634282  -1.1137095552   1.2314207580
C   -0.6327077693  -0.7086138181  -1.1046467269
C    2.2299994298   2.2272660923  -1.1558177621
C    0.1725809700   2.6395135867  -0.0420416092
C   -2.2211232176  -1.3768962439   1.0692640227
C   -1.9789659868  -0.9659064411  -1.2995249859
C   -2.7600044846  -1.2956480244  -0.2044820673
C    1.8402376189   3.1593767387  -2.1031912303
C    0.6097048732   3.7793538244  -1.9562073876
C    4.3438175485  -1.8533091978  -0.6867268401
H    1.0937358784   1.0516010035   1.8218514191
H    2.7463200710   0.9575804926   1.2402554621
H   -0.0186115245  -0.4394864255  -1.9534142840
H    3.1802705515   1.7159672590  -1.2461693984
H   -0.5149901237   2.4543837764   0.7769688219
H   -2.8357758415  -1.6454915394   1.9166911081
H   -2.4069398812  -0.9039100606  -2.2899251799
H    2.4745802688   3.3989208015  -2.9451427529
H    0.2763846975   4.5072487525  -2.6863781579
H    5.3569193129  -1.4648800785  -0.6069275995
H    4.1102238500  -2.0179571141  -1.7403805262
H    4.2861870240  -2.8040385485  -0.1529418963
*
