! 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  -1.0053311907  -1.3686933360   2.5071731333
Cl  -4.1975393723   1.1818561927  -0.9628622619
O    0.6692617942  -3.0273043425  -0.7904496615
N    1.5723207071  -2.3287060984  -0.0498149843
N    1.7507277805   3.2432056838   0.0396358411
C    2.0521142546  -0.3371146132   1.1598269443
C    1.1309993536  -1.2101061918   0.3545533598
C   -0.2104180887  -0.6725384964   0.0223903965
C    2.3320332607   0.9481079905   0.4300078113
C   -1.2447227449  -0.6568545204   0.9490141437
C   -0.4456571461  -0.1108598626  -1.2286467117
C    3.3052156857   1.0248578831  -0.5586352653
C    1.5850812189   2.0939919245   0.6803410084
C   -2.4768256204  -0.0904412542   0.6625397664
C   -1.6654021992   0.4603893831  -1.5449832127
C   -2.6697831060   0.4660667823  -0.5901811392
C    3.4927477240   2.2214144632  -1.2307472272
C    2.6891881350   3.3008827898  -0.8965675378
C    1.2508345030  -4.2310780436  -1.2539467582
H    1.5967918409  -0.1196428574   2.1294141788
H    2.9776147055  -0.8812852147   1.3529281239
H    0.3437800911  -0.1083903415  -1.9684962051
H    3.9109989707   0.1591470587  -0.7995417790
H    0.8158306224   2.0792511931   1.4468863071
H   -3.2670147143  -0.0881108776   1.4005053348
H   -1.8252509626   0.8965783173  -2.5209189438
H    4.2446559919   2.3187124794  -2.0019106219
H    2.8080422166   4.2498537755  -1.4074629936
H    1.5479851620  -4.8845692947  -0.4297889660
H    2.1169966009  -4.0453906151  -1.8938097707
H    0.4822328780  -4.7316636998  -1.8403252423
*