! 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   3.2617764551   2.4032267978   1.2567395869
Cl   5.2105539518   0.3393478158   0.7865138945
Cl   3.8366870480   1.5159782066  -1.4242284334
Cl  -2.8389965685  -1.1574023583  -2.2167452921
Cl  -3.4347306281  -2.1652209295   0.4150548705
Cl  -5.3563689026  -0.5336808259  -0.9774047088
O    3.2020804976  -2.8071690423   1.1421857825
O   -4.6343008420   2.8089125376   0.3428642613
N    1.2226416576   0.3688145025   0.4480289482
N   -1.5879136867   0.3329904796   0.0625318628
N    2.8652238795  -1.1988286136  -0.4367014116
N   -3.7053593608   0.8758178635   1.1134958916
C   -1.0275634687   0.0693513300   1.3706642302
C    0.3564989682  -0.5252197356   1.2064770761
C   -0.7552741837   1.2663057365  -0.6668219636
C    0.6355616540   0.6897269800  -0.8443889846
C    2.5743622518  -0.1045556300   0.4565708926
C   -2.9992040597   0.5022313039  -0.0785205553
C    3.6466342740   1.0021469838   0.2675980193
C   -3.6297737199  -0.7862616826  -0.6820118100
C    3.1230607187  -2.4530120025  -0.0167189294
C   -4.4689962728   1.9825743532   1.2160679551
H   -1.6275035104  -0.6532294781   1.9228924996
H   -0.9641659266   0.9804371912   1.9835049364
H   -1.1762339292   1.4415034194  -1.6571335775
H   -0.6889166621   2.2411537694  -0.1602294504
H    0.2582714050  -1.5109195090   0.7274883979
H    0.7865264844  -0.6812311087   2.1976217341
H    1.2355580494   1.4377259728  -1.3579490397
H    0.5625093645  -0.1917737024  -1.4982898322
H    2.7629704967  -0.4731590965   1.4665127591
H   -3.1987092115   1.2810287308  -0.8180069956
H    2.7964711605  -1.0562629558  -1.4333042691
H   -3.6821723589   0.2632471051   1.9147045330
H    3.2627383556  -3.1430106605  -0.8604973721
H   -4.9365115223   2.0607909977   2.2070204986
*