! 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  -2.3925951257  -0.7547941974  -2.3687546019
Cl  -3.1796965860   3.8180569493   0.2666683666
F    4.3207491643  -0.1594290682  -1.0834804120
F    3.0961200370   1.6088316150  -0.8946867259
F    4.5398387615  -0.3323736675   1.6430388383
F    3.2538260393   1.4204302145   1.8635644754
O    2.3646842067  -0.3087073586  -0.0192865302
N   -1.1493936871  -2.5470262715   0.8190389876
N   -1.5905720716  -3.5984182358   0.1273650383
N   -3.2069940354  -2.8034230656   1.4548146744
C    0.1846082989  -1.1133148551  -0.6556823461
C    0.1703383458  -2.0100070701   0.5879349282
C    1.6021549515  -0.8217701750  -1.1214037318
C   -0.6610696570   0.1216855313  -0.4500879082
C   -1.8320782691   0.3634024031  -1.1675281681
C   -0.3136843705   1.0699342829   0.5138400008
C    3.4289889439   0.4528627953  -0.2645925160
C   -2.6123516074   1.4922743839  -0.9586833096
C   -1.0694454767   2.2051576216   0.7448432704
C   -2.1243378324  -2.0776991544   1.6000266586
C   -2.2175165936   2.4081446487  -0.0018237364
C    4.1370013916   0.8081994588   1.0421995903
C   -2.8241905749  -3.7196097292   0.5449382747
H   -0.2386152732  -1.7044917307  -1.4700092552
H    0.8530718448  -2.8498360756   0.4597314663
H    0.4752287327  -1.4738522344   1.4852491215
H    2.0625517642  -1.7492146945  -1.4676821993
H    1.5795204163  -0.1193464855  -1.9565282047
H    0.5717975730   0.9249781224   1.1156502309
H   -3.5151993562   1.6468546238  -1.5327919826
H   -0.7643200610   2.9167204611   1.4994341441
H   -1.9989361571  -1.2261390688   2.2503350539
H    4.9961881683   1.4607236574   0.8796844026
H   -3.4736015079  -4.5006369463   0.1812784970
*