! 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   0.2996969255  -1.4940443374  -1.3934336403
Cl  -7.7384972730   0.1494873918  -0.7445865580
O    3.0406415592  -0.6351444761  -0.8753225726
O    3.5410699043   0.7152456517   0.8264041588
O   -2.4411413698   2.4914624770   0.1114984587
N    3.7194038018  -2.0616182404   1.4608202767
N    3.9427930303  -3.1616058536   0.7393201984
N    5.7513208618  -2.6409241065   1.9522370544
C    2.5783094788  -0.1791381642   0.3573867053
C    4.0556418434   0.2374721746  -1.3689026648
C    2.4832509110  -1.3336846991   1.3586254950
C    4.0952399362   1.3436099076  -0.3158992235
C    1.2135092892   0.4993903196   0.2412159504
C    5.3606755884  -0.5125242828  -1.5226036118
C    0.1566571171  -0.0102291538  -0.5094912884
C    0.9656350988   1.6661281871   0.9611507688
C   -1.0762618751   0.6227690436  -0.5752992562
C   -0.2579659844   2.3079762151   0.9308931666
C   -1.2800576874   1.7857095158   0.1526612465
C    4.8072314912  -1.7585724913   2.1747464816
C    5.1685960909  -3.4761067096   1.0681562600
C   -3.6437687364   1.8771791048  -0.1015381323
C   -4.5383945276   2.5198517622  -0.9436056043
C   -4.0045328783   0.7033074871   0.5470185628
C   -5.8050149151   1.9925567873  -1.1381629719
C   -5.2661053677   0.1679028721   0.3414702779
C   -6.1586050844   0.8157348620  -0.4983082242
H    3.7382180691   0.6337442698  -2.3373137861
H    1.7037794664  -2.0347120939   1.0669437380
H    2.2180577457  -0.9364011991   2.3388589617
H    5.1037478504   1.6787182502  -0.0739253477
H    3.5025928897   2.2146688711  -0.6156869073
H    6.1038127440   0.1289446149  -1.9988171390
H    5.7615707373  -0.8326821901  -0.5591669969
H    5.2356688040  -1.3949227276  -2.1509474414
H    1.7490646639   2.0867904703   1.5763393090
H   -1.8588886420   0.2040452494  -1.1939264207
H   -0.4168214549   3.2114970203   1.5047154484
H    4.8596438966  -0.9112141480   2.8398320050
H    5.6628867496  -4.3430313164   0.6577991797
H   -4.2520456674   3.4373991482  -1.4407944418
H   -3.3217416590   0.2011709092   1.2202658220
H   -6.5021529625   2.4986473771  -1.7916866743
H   -5.5471226688  -0.7460031461   0.8466319921
*