! 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   3.9258182140   3.8967146351   0.8523630713
O   -0.6402782606  -0.5271699736   1.1619245967
N   -1.4831173237  -2.9853576425  -0.2321372604
N   -0.4038204957  -3.2996226407   0.4911811698
N   -0.5756971040  -4.6625319703  -1.2694836051
C   -1.6227874298  -0.5291769064   0.1505133659
C   -2.6341808222   0.6031906109   0.5281741987
C   -1.0064995906  -0.2877983539  -1.2572055132
C   -2.3480561642  -1.8922765743   0.1606711404
C   -3.7090742833   0.7832320267  -0.5483354763
C   -3.3364938976   0.2968849652   1.8571684163
C   -1.8847055546   1.9307255681   0.6940063327
C    0.5012414817  -0.5277169041  -1.3987277135
C    1.3582116271   0.5673876464  -0.8216743621
C   -1.5715661252  -3.8050922921  -1.2785524477
C    2.2381878516   0.3350601346   0.2297365265
C    1.3026530359   1.8547042359  -1.3507458470
C    0.1096841763  -4.3102569740  -0.1685073801
C    3.0334062565   1.3468004682   0.7478890607
C    2.0833658542   2.8829132232  -0.8458164617
C    2.9438043377   2.6188820891   0.2074967514
H   -1.2045099943   0.7334355193  -1.5842696951
H   -1.5218426234  -0.9116654274  -1.9925897491
H   -2.7302674657  -2.1210007746   1.1551458184
H   -3.1893368783  -1.8979057244  -0.5294234542
H   -4.3835657818   1.5924615149  -0.2606175476
H   -4.3294247952  -0.1051795003  -0.6819174512
H   -3.2966910741   1.0486089501  -1.5226412010
H   -2.6283823931   0.0647333963   2.6528595304
H   -4.0451829521  -0.5301247099   1.7822719418
H   -3.9121662638   1.1670111075   2.1792190099
H   -2.5937001348   2.7196261855   0.9546058559
H   -1.1381515186   1.8863530406   1.4857764090
H   -1.3764463136   2.2500159281  -0.2169715765
H    0.7121775344  -0.5982428689  -2.4695161280
H    0.8012984406  -1.4898323505  -0.9809419719
H   -0.1938309395  -1.3855494566   1.1760973350
H   -2.3683306476  -3.7476911170  -2.0037379597
H    2.3172744147  -0.6565286829   0.6584922234
H    0.6400957976   2.0694831398  -2.1814524679
H    1.0110246218  -4.8052252280   0.1579325326
H    3.7099446263   1.1415722426   1.5668567149
H    2.0214252526   3.8746551496  -1.2737062504
*