! 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  -5.6340870294   0.1813990231   0.3054122362
O    2.0069127006  -2.4169565764  -0.7581319212
O    0.0491848493  -0.7035045894  -0.8042628266
N    1.2283052802   1.0717946815   0.0951258144
N    1.5131281772   1.7650283615  -1.0102108123
N    1.2081280019   3.1457280803   0.7260148081
C    3.6029781254  -1.0831263149   0.3901388880
C    2.3505627795  -1.0768611310  -0.5158200841
C    1.1030748522  -0.3655070253   0.0584483264
C    3.3491183955  -1.8320584488   1.7002503238
C    4.7214007164  -1.7927631580  -0.3828800939
C    4.0920631268   0.3326487537   0.7066697403
C    1.0405094385   1.9106185307   1.1218248998
C   -1.2427589151  -0.4656292320  -0.4656429609
C    1.4915544029   3.0003234467  -0.5858718264
C   -2.1652776519  -0.5992418586  -1.5004541549
C   -1.6835005791  -0.1326871304   0.8091040913
C   -3.5139105538  -0.4077464391  -1.2663130752
C   -3.0380991646   0.0670985314   1.0424186229
C   -3.9454796961  -0.0695637901   0.0084937103
H    2.6138379496  -0.5626495493  -1.4514340524
H    0.9118297985  -0.7010939653   1.0818592683
H    4.2624422544  -1.8565914044   2.2978542176
H    2.5867915190  -1.3527452266   2.3185117330
H    3.0427197548  -2.8650433422   1.5348289415
H    5.6413786832  -1.7914023061   0.2050345129
H    4.9386378433  -1.2846580161  -1.3259434523
H    4.4806646321  -2.8306275363  -0.6099927376
H    4.1808497845   0.9502118131  -0.1893975958
H    5.0840650444   0.2810903195   1.1600052529
H    3.4586000062   0.8568597202   1.4213330817
H    1.3823829234  -2.4551968270  -1.4890294446
H    0.8052456741   1.5800073637   2.1220415678
H    1.6851774861   3.8319301909  -1.2453856959
H   -1.8229417767  -0.8591354897  -2.4940816918
H   -1.0114302909  -0.0380960666   1.6499021628
H   -4.2197473829  -0.5195364678  -2.0782072228
H   -3.3696661796   0.3269168890   2.0384271874
*