! 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   0.3783112880   0.2550507262   2.1564255927
Cl  -7.7245600812   0.8554303978   0.6885296468
O    3.4504847734  -0.3388459749  -1.1018104553
O    3.1054163510   0.2811042698   1.0094774303
O   -2.4797522400   1.5812899821  -1.8100323161
N    3.6649109172  -2.4985939629   0.6790504618
N    4.3826868469  -3.1547311521  -0.2350666614
N    5.4881596385  -3.0626791180   1.7091690801
C    2.5420478211  -0.4330700088  -0.0442276059
C    4.3383617521   0.7586311368  -0.8752653550
C    2.3969051307  -1.9038542509   0.3550339833
C    3.7915579277   1.3664147525   0.4157843494
C    1.1800612127   0.1250711414  -0.4579452241
C    5.7632435541   0.2617678439  -0.7655227827
C    0.1674336694   0.4434770768   0.4448968555
C    0.8904119875   0.2954074164  -1.8098245653
C   -1.0672145589   0.9240810619   0.0330432140
C   -0.3348032047   0.7580268979  -2.2504890283
C   -1.3157709559   1.0753938477  -1.3233524749
C    4.3381252692  -2.4452039628   1.8312822230
C    5.4627908539  -3.4789754286   0.4264213522
C   -3.6695199231   1.3794855446  -1.1668684061
C   -4.5376804137   2.4583284367  -1.0928569142
C   -4.0442091743   0.1368066465  -0.6726303751
C   -5.7920955606   2.2977406083  -0.5265864605
C   -5.2935587619  -0.0207869635  -0.0941543902
C   -6.1599808360   1.0591882372  -0.0258418499
H    4.2519359106   1.4621650301  -1.7076843015
H    1.9582460214  -2.4669860767  -0.4668440265
H    1.7302583014  -1.9992749079   1.2109006787
H    4.5681299174   1.7072398864   1.1001230163
H    3.1126909569   2.2033854751   0.2179518283
H    6.0514374007  -0.3096875997  -1.6482784805
H    6.4452691658   1.1093167838  -0.6837187181
H    5.9060077863  -0.3693057292   0.1133609741
H    1.6432168779   0.0504044154  -2.5455809283
H   -1.8154117342   1.1808877432   0.7715050835
H   -0.5281203747   0.8760538755  -3.3086219302
H    3.9545380610  -1.9653044755   2.7176506652
H    6.2637773194  -4.0391004362  -0.0307091444
H   -4.2398211925   3.4220719810  -1.4852498359
H   -3.3804340666  -0.7157916621  -0.7388407505
H   -6.4700905732   3.1387381989  -0.4753752648
H   -5.5868403832  -0.9883531609   0.2896222627
*