! 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   0.5408168950  -1.8133440346  -2.0016965607
Cl   5.2228472077  -0.8850113388   0.4179878715
O   -1.0437887364   1.4359839765   0.5185837183
N   -2.8795338986  -0.7758374249   0.5833682838
N   -4.9546836122  -0.0695006512   0.7953644282
C   -0.6952635554   0.1924138436  -0.0178322794
C   -1.4537028562  -0.8703289776   0.7765522940
C    0.7922153963  -0.0754638951   0.0687901682
C    1.4376721718  -0.9699089044  -0.7792849211
C    1.5646201790   0.5518757610   1.0413589299
C   -3.6054532036  -1.4075193334  -0.3892158779
C   -3.7360507386   0.0218936139   1.2580440159
C   -0.7801039068   2.5313432398  -0.3412581842
C    2.7956592345  -1.2297177532  -0.6860423738
C    2.9230889989   0.3144748572   1.1616803639
C    3.5274614981  -0.5763211024   0.2905244256
C   -4.8849843075  -0.9603984690  -0.2382094037
C   -1.0866116925   3.7920614298   0.3934421100
C   -1.9320263632   4.7139434737  -0.0466652497
H   -1.0120512893   0.1313184226  -1.0686942733
H   -1.1295000879  -1.8667363143   0.4790227681
H   -1.2277439416  -0.7670812846   1.8389701901
H    1.0954618385   1.2498430819   1.7222569365
H   -3.1598455377  -2.1077797926  -1.0770339925
H   -3.4150921694   0.6406841562   2.0815797335
H    0.2747647193   2.5360667567  -0.6480408879
H   -1.3821035469   2.4566928494  -1.2553929575
H    3.2703452971  -1.9265449826  -1.3629931035
H    3.4980429686   0.8194574830   1.9255540041
H   -5.7559408799  -1.2388642024  -0.8115214644
H   -0.5476311077   3.9504377882   1.3232979661
H   -2.1001421080   5.6333513303   0.4995493783
H   -2.4853410205   4.5903112214  -0.9705950689
*