! 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 "1-OCTANOL"
end
*xyz 0 1
Cl   1.8788208001   0.2016013388  -2.7207838451
Cl  -7.5344105382   2.2415031521   1.5209762390
O    3.2418878512   0.3136866670  -0.1436160034
O    2.3774419974  -0.6288957691   1.6829592447
O   -2.9586897307   0.3005173678  -1.5732820592
N    4.1222242645  -2.3422173061   0.2129204601
N    5.1478964521  -2.1157314365  -0.6098374151
N    5.8813165297  -2.8795685818   1.3629329049
C    2.3347473232  -0.6517808186   0.2886650073
C    3.5644747977   1.1965407968   0.9294288528
C    2.7686392665  -2.0451359047  -0.1730651321
C    2.6519357959   0.7108945530   2.0537060382
C    0.9216922702  -0.3674491255  -0.2198719739
C    5.0400031042   1.1111416384   1.2527404311
C    0.6360117353   0.0244543532  -1.5266559628
C   -0.1649401805  -0.5503622829   0.6314238916
C   -0.6597311090   0.2718610131  -1.9492496674
C   -1.4721927571  -0.3303582478   0.2321935404
C   -1.7135982545   0.0970260861  -1.0656533193
C    4.5731364187  -2.7895974594   1.3882697913
C    6.1796941529  -2.4527292385   0.1190076447
C   -3.9827085351   0.7493345566  -0.7881385387
C   -5.2345545298   0.1978118912  -1.0157981443
C   -3.8189869951   1.7632271678   0.1467710673
C   -6.3330668006   0.6610361149  -0.3097535344
C   -4.9152984777   2.2169402409   0.8632035737
C   -6.1649467861   1.6645877367   0.6305180272
H    3.3075928061   2.2174210900   0.6332088855
H    2.7018381916  -2.1320340294  -1.2560294558
H    2.1001931157  -2.7909435422   0.2590150865
H    3.1291427479   0.7106571845   3.0337300542
H    1.7312964913   1.3013918410   2.1160148071
H    5.3015663184   1.8648230589   1.9972604320
H    5.3122965005   0.1338730583   1.6551841085
H    5.6484843388   1.2975894326   0.3672239914
H    0.0075365712  -0.8840117775   1.6456987385
H   -0.8564215719   0.5881116146  -2.9652698922
H   -2.2788956396  -0.5019732030   0.9323780477
H    3.9239333107  -3.0463498876   2.2106423648
H    7.1880641766  -2.3961174599  -0.2615632201
H   -5.3559015763  -0.5875555295  -1.7503569335
H   -2.8513824906   2.2152999977   0.3224762294
H   -7.3084923668   0.2321703121  -0.4938387221
H   -4.7872766719   3.0068036548   1.5907277836
*