! 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  -0.6123137050  -0.2704304781  -2.3808188084
Cl  -5.3539185814  -0.8412367139   0.0613300375
O    0.8571238701  -2.1021023205   0.1741072503
N    1.4151392809  -0.8687926770   0.3155901469
N    4.5262747024   1.9347293250   1.7864740253
C    1.0181634621   1.4819639325   0.5187204661
C    0.5561420962   0.0607454048   0.3764819405
C   -0.9063750902  -0.1685095932   0.2978625758
C    2.5077189700   1.6386706612   0.5243831327
C   -1.5433515303  -0.3334655030  -0.9262715186
C   -1.6794250222  -0.2126243219   1.4513203262
C    3.2481940057   1.5906689479  -0.6506304291
C    3.2066551028   1.8129921859   1.7115581895
C   -2.9100764544  -0.5373064698  -1.0163957809
C   -3.0479645725  -0.4194740350   1.3933748962
C   -3.6479746214  -0.5812886640   0.1555764528
C    4.6248105725   1.7190794703  -0.5875458123
C    5.2174795634   1.8850017260   0.6556987072
C    1.8725953212  -3.0733923223   0.0172885410
H    0.5772307172   2.0631864780  -0.2977433814
H    0.5858167049   1.8980329717   1.4342140527
H   -1.2054735404  -0.0879481509   2.4163730292
H    2.7528529642   1.4550054152  -1.6048328462
H    2.6658779146   1.8576441847   2.6522941591
H   -3.3868595413  -0.6624237450  -1.9786557976
H   -3.6322534079  -0.4554110096   2.3021378589
H    5.2321066448   1.6889643834  -1.4819904498
H    6.2938950725   1.9863281274   0.7386959373
H    1.3641249169  -4.0311673490  -0.0811228736
H    2.5366735984  -3.1136089701   0.8843165097
H    2.4692823083  -2.8977809835  -0.8812529515
*