! 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   3.5689052492   4.2332934149   0.6616695802
O   -0.7186026561  -0.5103743166   1.2096117888
N   -1.4905034025  -3.0880285787   0.0381263741
N   -0.5069782626  -3.3398885500   0.9102406774
N   -0.4441266056  -4.8133578383  -0.7739939046
C   -1.5809721815  -0.6081136997   0.0955544905
C   -2.5709122736   0.5951939312   0.2121297995
C   -0.8026788988  -0.5771268457  -1.2528294387
C   -2.3584869417  -1.9398198208   0.1921587822
C   -3.3893152882   0.5204988531   1.5072720195
C   -1.7855954158   1.9118506661   0.2354199676
C   -3.5504295052   0.6315453400  -0.9645228404
C    0.7192977447  -0.7521818006  -1.1767224513
C    1.4512769468   0.4755274080  -0.7041256152
C   -1.4319601145  -3.9668396387  -0.9591270825
C    1.4582824658   1.6246766073  -1.4919041761
C    2.1341506751   0.5133303670   0.5065533063
C    0.0902353843  -4.3787013954   0.3787884274
C    2.1033917793   2.7819914002  -1.0850452243
C    2.7912498972   1.6588382354   0.9326333915
C    2.7624413439   2.7896489269   0.1336970295
H   -0.9944755377   0.3567295757  -1.7818718172
H   -1.1954105728  -1.3474110375  -1.9213916814
H   -2.8625064818  -2.0303051811   1.1532748663
H   -3.1133126709  -2.0154650926  -0.5874920799
H   -4.0096880222   1.4141737138   1.5985450056
H   -2.7562737049   0.4720358092   2.3928096746
H   -4.0692786297  -0.3324433844   1.5309885510
H   -2.4792194084   2.7482543903   0.3429558993
H   -1.2193227312   2.0839330316  -0.6798666895
H   -1.0822699329   1.9573805540   1.0659502255
H   -3.0514425881   0.7059723649  -1.9314079774
H   -4.2052079439  -0.2410478873  -0.9959663323
H   -4.1979023229   1.5057141838  -0.8741379158
H    1.0595016238  -0.9831134769  -2.1894565620
H    1.0021611352  -1.6165838795  -0.5727688557
H   -0.2833079984  -1.3632052908   1.3481670857
H   -2.1289435480  -3.9655255381  -1.7820496289
H    0.9480855573   1.6250524235  -2.4482943220
H    2.1636059096  -0.3651313549   1.1386651652
H    0.9428011883  -4.8420987305   0.8493661825
H    2.0918248219   3.6627423698  -1.7127866704
H    3.3137143226   1.6662522329   1.8797526766
*