! 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   0.8116030469  -0.8127861002  -2.1582216389
Cl   5.6892828178  -0.6714021025  -0.0269580343
O   -1.0184539124  -0.4878713477   0.1098136755
O   -0.4927576115   0.8885719363   1.8080013890
N   -1.9597247499   2.0330212158  -0.4327640254
N   -2.5701349619   2.7858332328   0.4886546318
N   -4.0818798159   1.7733806081  -0.8268257256
C   -0.2042238766   0.5784596877   0.4702635961
C   -1.5439970493  -1.1063968241   1.2774937765
C   -1.5120317173   0.0287090808   2.2885826299
C   -2.9306580916  -1.6409680524   0.9982137513
C   -0.5432078087   1.7889213545  -0.4171505638
C    1.2762004164   0.2384231613   0.3289763888
C   -2.9851976175  -2.6821259456  -0.1112556988
C    1.8033404337  -0.3760614700  -0.8066568669
C    2.1685728593   0.5732468565   1.3428398226
C   -4.3928982619  -3.2152768003  -0.3215780595
C    3.1553555665  -0.6620694973  -0.9226361473
C    3.5237047541   0.3032205953   1.2517526443
C   -2.8727184775   1.4226076465  -1.1899303862
C    4.0045045153  -0.3190364620   0.1144065406
C   -3.8333631886   2.6007993446   0.2068446158
H   -0.8812786311  -1.9230589756   1.5914118496
H   -2.4681894799   0.5615829103   2.3319938200
H   -1.2584037189  -0.3112016218   3.2927380226
H   -3.5938258766  -0.8046246815   0.7536364515
H   -3.3092689655  -2.0738442804   1.9293428666
H   -0.2134705655   1.6281636246  -1.4418449579
H   -0.0327449967   2.6754473365  -0.0461361788
H   -2.3102574656  -3.5084035846   0.1276362451
H   -2.6182958363  -2.2415940418  -1.0408809379
H    1.8038952757   1.0593710348   2.2355658267
H   -4.7772516193  -3.6915312368   0.5812016070
H   -5.0837921952  -2.4147664744  -0.5898486059
H   -4.4232745758  -3.9548688219  -1.1221312799
H    3.5355722129  -1.1454117282  -1.8116174825
H    4.1870448711   0.5761404914   2.0602944857
H   -2.6158019056   0.7590997396  -1.9998192818
H   -4.6133722583   3.0921792890   0.7670711403
*