! 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  -0.7535793264  -0.6494390872   2.4059969170
Cl   2.0533374510  -4.1774254032  -0.4311871878
O   -1.8954192947   1.2260102428   0.3786429317
O   -0.6159067929   1.8022999727  -1.3794857417
N    1.6170419165   2.1964925399   0.4811060954
N    2.4886002983   1.4010063672   1.1054101587
N    3.4939018262   2.5082696321  -0.5595635139
C   -0.5816769735   1.2549308209  -0.0883892707
C   -2.7771907674   1.3289289317  -0.7367939632
C   -1.9497499480   2.1760954576  -1.6899536304
C   -3.1692015379  -0.0269741509  -1.3047964513
C    0.2207615667   2.1913355932   0.8316177350
C    0.0512919208  -0.1321415167  -0.1578324182
C   -3.7965427885  -0.9812018395  -0.2940770161
C    0.0293117756  -1.0283868364   0.9081775233
C    0.7291315795  -0.5294264420  -1.3062179770
C   -5.1129299453  -0.4868772963   0.2893828747
C    0.6349325715  -2.2732841960   0.8323253731
C    1.3501054691  -1.7623739715  -1.4079351833
C    2.2278525700   2.8447951873  -0.5148810108
C    1.2933169654  -2.6283844868  -0.3313532785
C    3.5988285175   1.6228471530   0.4518573576
H   -3.6615502929   1.8697588845  -0.3944844216
H   -2.1421798949   1.9620658794  -2.7421379019
H   -2.1024592150   3.2463482696  -1.5192713253
H   -2.2986020355  -0.5043748880  -1.7650522438
H   -3.8771159067   0.1573792981  -2.1196695135
H    0.1401037553   1.8901754593   1.8731739204
H   -0.1772071153   3.2031752563   0.7449103174
H   -3.0888006159  -1.1824091898   0.5134640803
H   -3.9641489190  -1.9397632341  -0.7915741415
H    0.7776416704   0.1374867382  -2.1545951204
H   -5.5640864519  -1.2440550044   0.9321077291
H   -4.9870857385   0.4108997539   0.8965110437
H   -5.8344660231  -0.2543890424  -0.4969246570
H    0.5949774062  -2.9515851291   1.6733630741
H    1.8675697608  -2.0363265426  -2.3167710121
H    1.7238591402   3.5456875967  -1.1610781110
H    4.5221462676   1.1305705735   0.7152734153
*