! 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  -4.7288818085  -0.4652127298  -0.0353037229
O    1.8268839191  -1.3203250031  -1.0988086807
N    2.8908939461  -0.4478234500  -0.7753392748
N   -0.3504914960   2.6284402327   0.9930994406
C    2.4749193863   0.1640613178   0.4893812526
C    1.8448190247  -1.0253638068   1.2256563915
C    1.1542873833  -1.7660765716   0.0829323732
C    1.4426024815   1.2445422779   0.1857648508
C    3.6349764543   0.7857920136   1.2557827094
C   -0.3237816383  -1.4666252534  -0.0139664036
C    4.1233966404  -1.2130464434  -0.7378300607
C    1.3337122620   1.8409424056  -1.0631176380
C    0.5767600549   1.6995721673   1.1765334508
C   -0.8804196884  -0.7397713807  -1.0584695601
C   -1.1634608635  -1.9148498022   1.0024920298
C    0.3641575800   2.8092937842  -1.2710091745
C   -2.2336742424  -0.4315605168  -1.0717479657
C   -2.5164801119  -1.6183371709   1.0046115057
C   -0.4611166617   3.1619480133  -0.2169921271
C   -3.0399758618  -0.8655913273  -0.0349398644
H    2.6291155208  -1.6407708625   1.6703460141
H    1.1653725653  -0.7507253977   2.0293668751
H    1.2895813773  -2.8482649722   0.1880090488
H    4.3673784582   0.0421120132   1.5701503425
H    3.2571473697   1.2685458648   2.1571615360
H    4.1436930706   1.5480330007   0.6643971379
H    4.2452072908  -1.7166354487  -1.6959629969
H    4.1867626733  -1.9669084197   0.0569415373
H    4.9635334682  -0.5271328479  -0.6311039641
H    1.9856316223   1.5393393004  -1.8716903141
H    0.6338932494   1.2935246654   2.1814461119
H   -0.2675535507  -0.3909325423  -1.8765354673
H   -0.7609087128  -2.5009262277   1.8208451135
H    0.2452590528   3.2797224350  -2.2379338648
H   -2.6454480937   0.1480374622  -1.8869490388
H   -3.1484458513  -1.9683585449   1.8094915742
H   -1.2371783597   3.9072686862  -0.3530996503
*