! 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  -4.4683560281   2.0347834391  -0.4278971342
F   -0.7610718004  -2.7358481113   0.1700182670
F    0.0143117764  -1.3991530843   1.6645364901
F   -2.0513242175  -1.9827497107   1.7118054635
O    1.0967109941   1.4399643701   0.6853678560
N    2.9168962006  -1.2284893409  -0.9628122607
N    0.7306694233  -0.6600981607  -1.1123659248
N    4.9516977768  -2.0712787252  -1.0765138790
C    1.8448748369  -0.4088053610  -0.5881142133
C    2.2054816126   0.6591393414   0.4126943991
C    1.3820054105   2.5338399613   1.5339489361
C   -0.4658452613   0.0043337687  -0.8974961526
C    0.1031375056   3.2968099956   1.8016820668
C   -1.4017673901  -0.4738195708   0.0252920754
C   -0.8156461518   1.0837816603  -1.7055777765
C   -2.6332042326   0.1528826585   0.1673718217
C    2.8503684950  -2.2983837724  -1.8309783889
C   -0.9293421024   2.5003420237   2.5841245010
C    4.2170311888  -1.1475281568  -0.5424794930
C   -1.0539349613  -1.6446247243   0.8887512161
C   -2.0383324838   1.7093518641  -1.5667033432
C   -2.9393646264   1.2449383302  -0.6212525330
C    4.1091916154  -2.7965856995  -1.8840497841
H    3.0290349659   1.2553123535  -0.0074465812
H    2.6013308447   0.1727176612   1.3164352017
H    2.1245235317   3.1919022934   1.0621153893
H    1.8206183026   2.1816588647   2.4785064229
H    0.3725017983   4.2002615827   2.3548794085
H   -0.3194840464   3.6324877908   0.8507563582
H   -0.1111651982   1.4419574053  -2.4442976440
H   -3.3524221332  -0.1984556694   0.8937650609
H    1.9348445278  -2.5928848344  -2.3122601406
H   -1.1850137416   1.5701385326   2.0784056930
H   -0.5631837100   2.2490471161   3.5819476725
H   -1.8525914713   3.0683413146   2.7063395561
H    4.5656683833  -0.3969708667   0.1489357155
H   -2.2827887768   2.5571001426  -2.1925670158
H    4.4613084181  -3.6394839102  -2.4574900197
*