! 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   2.0464421525  -0.4138601384   1.9195404094
Cl   3.2483603029   4.4238361119   0.0441435181
O   -1.4399166861  -0.1673499753  -0.9386280141
O   -0.7708655514  -0.8649085482   1.0891048307
N   -0.3689936505  -2.7970854871  -0.9125626984
N   -1.1403736706  -3.0347618017  -1.9761642262
N   -1.4660498557  -4.5990978880  -0.4071432951
C   -0.3118937592  -0.4613452779  -0.1665235470
C   -2.6239196344  -0.4086231080  -0.1828351617
C   -2.0942268264  -0.3844168997   1.2399647445
C    0.4547849334  -1.6225702246  -0.8180638771
C    0.5863209561   0.7697542743  -0.0755569121
C   -3.6796894518   0.6291997064  -0.4975671476
C   -4.9782489265   0.3449964310   0.2444579889
C    1.6581170046   0.8622166138   0.8125519899
C    0.3725984456   1.8507290722  -0.9258603080
C    2.4785736470   1.9793809393   0.8567992322
C    1.1751450057   2.9788357130  -0.9020810654
C   -0.5803264297  -3.7321142421   0.0181415405
C    2.2267944088   3.0316141963  -0.0055723169
C   -1.7751475270  -4.1253300503  -1.6314991605
H   -3.0116368245  -1.4060299469  -0.4290878883
H   -2.1027097075   0.6304625133   1.6586081961
H   -2.6274878464  -1.0476290201   1.9197386955
H    1.3478797017  -1.8703685520  -0.2476539232
H    0.7722733678  -1.3394453777  -1.8203258352
H   -3.3054200542   1.6238571395  -0.2384800028
H   -3.8692773901   0.6299063568  -1.5736769578
H   -4.8526112384   0.3919603384   1.3279861444
H   -5.7443016771   1.0729453473  -0.0225161789
H   -5.3678873183  -0.6449403928  -0.0005541007
H   -0.4442047908   1.8191711675  -1.6321478118
H    3.3018433391   2.0233055892   1.5562194684
H    0.9761174135   3.8002449267  -1.5762380037
H   -0.0673035397  -3.7458624146   0.9668690824
H   -2.4860515212  -4.6011865650  -2.2892009578
*