! 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   0.7084133564   2.1704071219   1.1254910410
Cl   4.9382940306  -0.2872342094  -0.9543857776
O   -1.4334837906  -1.6787282911   0.1863392510
O   -1.4412056957   0.2434240881   1.2855233522
N   -1.4314213442   1.6312053476  -1.3492397365
N   -2.0488675093   2.6406076638  -0.7316021349
N   -0.4721703420   3.4176328709  -2.1185741301
C   -1.0239117859  -0.3460227042   0.1017216476
C   -1.3840487382  -2.0696453687   1.5599383483
C   -1.2405919045  -0.7262676344   2.2969421789
C   -2.6342208303  -2.8478759426   1.9145045593
C   -1.7764643332   0.2603758138  -1.0867454604
C    0.4942672039  -0.2772423499  -0.1016204719
C   -2.8019698782  -4.1358737709   1.1175692819
C    1.3137310786   0.7769791685   0.2999679102
C    1.1037426868  -1.3252515031  -0.7905425231
C   -4.0190734769  -4.9346517185   1.5578708609
C    2.6797350117   0.7752857295   0.0453166743
C    2.4590737449  -1.3472802794  -1.0648567755
C   -0.4915843834   2.1091828862  -2.1712878148
C    3.2403289304  -0.2888093249  -0.6353227394
C   -1.4433450127   3.6899442588  -1.2234754071
H   -0.5001286942  -2.6950375657   1.7289407709
H   -1.9956489968  -0.5772818416   3.0699165299
H   -0.2535616673  -0.6234636037   2.7592516308
H   -3.5105503818  -2.2033391401   1.7843551889
H   -2.5815303203  -3.0869266310   2.9813320492
H   -2.8485432301   0.2048300110  -0.8993329417
H   -1.5589724821  -0.3255744835  -1.9791459666
H   -1.9029823732  -4.7501178660   1.2298302349
H   -2.8852795192  -3.9052892343   0.0526307213
H    0.5026273771  -2.1590899102  -1.1263243984
H   -4.9383801315  -4.3565913420   1.4434792411
H   -4.1308735226  -5.8459293157   0.9686177494
H   -3.9450320053  -5.2292220247   2.6067050345
H    3.2923084864   1.6029561697   0.3751509867
H    2.8924547297  -2.1795802077  -1.6017111043
H    0.1310549844   1.4754137107  -2.7843372867
H   -1.7133904868   4.6925194139  -0.9290440384
*