! 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  -2.1817371575   4.9104728034   0.6631175290
N   -0.6106389162  -2.8922297541  -0.6587323305
N    0.0623843641  -3.2910021266  -1.7423408359
N   -0.3399712663  -5.0270044272  -0.3876150731
N    0.5619170785  -1.7876474349   2.5438132479
C    0.1116622910  -0.6553823551   0.2319667993
C    1.4426963039  -0.6558924793  -0.5527063866
C   -0.9780244156  -1.5145303418  -0.4644636705
C    2.5116600986   0.2457782878   0.0514329912
C   -0.4535417038   0.7514384872   0.3854859996
C    3.8650194938   0.1020294162  -0.6390111816
C    0.3641506953  -1.2612925226   1.5407676436
C   -0.7879068269   1.2996722183   1.6169695528
C   -0.6658236886   1.5142976845  -0.7612384770
C    3.8604108725   0.5117381146  -2.1047978170
C   -1.3189535214   2.5786410805   1.7106504603
C   -1.1967764100   2.7900033700  -0.6845081553
C   -0.8433887694  -3.9393880182   0.1400978029
C   -1.5203534282   3.3149035859   0.5572555071
C    0.2022820652  -4.5743599249  -1.5357631143
H    1.2212856023  -0.3602891146  -1.5802407891
H    1.8198156453  -1.6794131350  -0.6068469846
H   -1.1969088310  -1.0867214581  -1.4410939939
H   -1.8952448867  -1.4840596324   0.1223148195
H    2.6354599503   0.0105701648   1.1132026404
H    2.1924699929   1.2909103539   0.0052775371
H    4.2111100974  -0.9319836935  -0.5475433657
H    4.5925965934   0.7131892621  -0.0990945727
H   -0.6408960066   0.7437078870   2.5339027997
H   -0.4136166427   1.1276743730  -1.7406721017
H    4.8677206502   0.4802585651  -2.5227143587
H    3.4862787336   1.5302011525  -2.2313560204
H    3.2408082833  -0.1451999723  -2.7174177927
H   -1.5689683758   2.9872745711   2.6801205569
H   -1.3511734935   3.3656167249  -1.5868138649
H   -1.3826623364  -3.8615506126   1.0714249068
H    0.7104562442  -5.2117008320  -2.2426627643
*