! 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   1.7194349070  -0.7566689366  -2.2339603814
Cl   0.6993775074  -5.3939624372   0.1808227757
O   -0.7089526942   1.0444571349   1.1241646235
O   -0.1901197188   1.1207306037  -1.0585993651
N    1.5544093699   2.6525003406   0.6807670640
N    1.8161100405   3.4260610045  -0.3754022011
N    1.2034018410   4.6764513277   1.3777806790
C    0.2334887397   0.6328063932   0.1781369443
C   -1.8508364342   1.5938401629   0.4730493748
C   -1.2689050202   2.0174101408  -0.8684961055
C   -2.9992950106   0.6006425686   0.3745604712
C    1.5934674526   1.2179747448   0.6010509349
C    0.3471366780  -0.8875185518   0.1325988709
C   -4.2918418348   1.2751715917  -0.0733269540
C    0.9889592711  -1.5769837925  -0.8954895018
C   -0.1600500282  -1.6421798560   1.1862834274
C   -5.4656134993   0.3110684919  -0.1424213760
C    1.0964473300  -2.9600692389  -0.8904785072
C   -0.0620002025  -3.0227453414   1.2184343122
C    1.1845464473   3.4108287356   1.7168626466
C    0.5645409749  -3.6717261324   0.1698168789
C    1.5958759061   4.6293852860   0.0887569232
H   -2.1691015644   2.4592167862   1.0599376472
H   -1.9671185251   1.8998381572  -1.6985349013
H   -0.9249629900   3.0559475915  -0.8616197703
H   -3.1547178359   0.1444581301   1.3565698703
H   -2.7417530529  -0.2111148364  -0.3145490298
H    2.3762817697   0.9347351611  -0.0983887203
H    1.8645301274   0.8230224026   1.5794482002
H   -4.1525403844   1.7417892522  -1.0530271297
H   -4.5301188329   2.0893343982   0.6179537294
H   -0.6465200201  -1.1424818682   2.0116364379
H   -6.3789395161   0.8233408735  -0.4479497738
H   -5.2838259286  -0.4906754664  -0.8604515876
H   -5.6584415963  -0.1522330820   0.8270797080
H    1.5926015542  -3.4701808519  -1.7044891594
H   -0.4689106431  -3.5770863463   2.0527242791
H    0.9279981728   3.0030328203   2.6815910618
H    1.7269616751   5.5085696902  -0.5230505950
*