! 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  -0.7190354382   1.9978050411  -2.2243159572
Cl  -4.9455009507  -0.4688939092   0.0020577258
O    0.8351438807   0.2078955067  -0.6310721870
O    5.3349911279   0.1203306115   2.2863568207
O    3.5320997651  -1.1256795027   2.6764024918
C    3.1528779940  -0.0565602758  -0.2501082746
C    1.7709728920  -0.5537222778   0.1233560899
C    4.2825666549  -0.8542649528   0.4112454072
C   -0.4703629141  -0.0033813958  -0.4361473261
C    4.3287169587  -0.6548001155   1.9004804037
C   -1.3588088003   0.8041551557  -1.1554516332
C   -1.0058693178  -0.9593687048   0.4221939048
C   -2.7274877115   0.6679661525  -1.0276794826
C   -2.3786242780  -1.1049617825   0.5602968268
C   -3.2307008777  -0.2929274266  -0.1635342632
H    3.2469693642   1.0037079630  -0.0036855204
H    3.2804123721  -0.1456173682  -1.3305747444
H    1.5763684597  -0.4263524835   1.1912563425
H    1.6729345769  -1.6188418815  -0.1161372719
H    5.2302593218  -0.5596845159  -0.0372816904
H    4.1435398874  -1.9202302658   0.2175821661
H   -0.3631199050  -1.6098500584   0.9984709493
H   -3.3898830295   1.3067022054  -1.5952688718
H   -2.7674396214  -1.8546719453   1.2351410294
H    5.3090526821   0.2411049768   3.2482500245
*