! 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  -4.9741074667  -2.1430006288   0.2000031217
Cl   2.1707965635   3.6809537148  -1.3788210842
O    2.7761670322   1.4620155999   0.8070053513
N    1.1637664113   0.0547027416   0.0080457949
N   -0.0608614377   4.5044331275  -0.3608017126
C    1.0101957889  -2.3413687729  -0.0699116539
C    1.8125599547  -1.1892212705  -0.0208331941
C   -0.4683251337  -2.2671616833  -0.0092310020
C    1.6226074977  -3.5854246462  -0.1834703582
C    3.2004838141  -1.3122348655  -0.0560508429
C   -1.1165996705  -1.7208597686   1.0989278016
C   -1.2438702155  -2.7772784392  -1.0480842211
C    3.0023904169  -3.7080473314  -0.2166712853
C    3.7844703791  -2.5665310085  -0.1452819765
C    1.6463486166   1.2510346531   0.4168337388
C    0.6166839563   2.3371136001   0.3798227946
C   -2.4996799811  -1.6786584836   1.1700716065
C   -2.6286581457  -2.7432589783  -0.9908943987
C   -3.2454889388  -2.1905390530   0.1196306335
C   -0.5379477744   2.2424347573   1.1444884907
C    0.7867724340   3.5082565279  -0.3541077043
C   -1.4404543368   3.2931682563   1.1573790064
C   -1.1545699083   4.4058921117   0.3882505561
H    1.0022021515  -4.4720599929  -0.2238173088
H    3.8317512688  -0.4386450902  -0.0326829881
H    0.2104184165   0.0540923778  -0.3253191569
H   -0.5380298561  -1.3429255715   1.9329704109
H   -0.7647863960  -3.2007117434  -1.9217298723
H    3.4589858355  -4.6857513946  -0.2933936197
H    4.8636441789  -2.6424217065  -0.1714398085
H   -2.9854238095  -1.2588292045   2.0404702667
H   -3.2147787702  -3.1409596010  -1.8082681740
H   -0.7219939199   1.3608245623   1.7457624768
H   -2.3417166652   3.2501247895   1.7515952984
H   -1.8276364552   5.2538887639   0.3671130400
*