! 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
F   -1.5668600603  -0.6894477297  -1.7787170467
F   -2.3486850398  -2.1105806267  -0.3627425033
F   -3.5883678670  -1.3887426269  -1.9582534925
O    4.5663694532   0.0893711253   0.0040565377
O   -0.0775853448   1.7242692118  -0.1797634359
N   -0.2109928089  -0.2898320141   0.8855088931
C    4.4783650077   1.3738698956  -0.6218147220
C   -2.2187703664   0.9472050361   0.4530078648
C    1.1107420833  -0.7539930850   0.8941101935
C    3.4668575431  -0.5527489008   0.4380157589
C   -3.1262094395   0.1109411064  -0.2030130681
C    2.1836329097  -0.0102216350   0.4026395375
C   -0.7251487848   0.8311974512   0.3320232783
C    5.8648042483   1.9776916680  -0.5372195697
C    4.0012540271   1.2462629324  -2.0578278425
C    1.3199261248  -2.0251938099   1.4236975815
C    3.6778460079  -1.8283839590   0.9622887235
C   -2.6978295829   2.0028169718   1.2196506338
C   -4.4918039460   0.3233940872  -0.0549025340
C    2.6029964618  -2.5464517342   1.4524216659
C   -2.6586113576  -1.0164243567  -1.0771248121
C   -4.0600838501   2.2064995262   1.3688011216
C   -4.9572185865   1.3630113549   0.7340201495
H    3.7914903410   2.0112412876  -0.0543396741
H    2.0083978355   0.9750468251   0.0066264918
H   -0.8667610727  -0.8904948331   1.3624941733
H    6.5964234443   1.3763293106  -1.0798781664
H    5.8608797590   2.9753361308  -0.9763598762
H    6.1952062937   2.0733228828   0.4977406801
H    3.9317850797   2.2343511513  -2.5141632443
H    3.0165498853   0.7842135000  -2.1365727094
H    4.7004746842   0.6515095708  -2.6483907750
H    0.4884786499  -2.6061532457   1.8036510530
H    4.6778713879  -2.2420673789   0.9857321786
H   -1.9988879457   2.6661532805   1.7123219946
H   -5.2076426437  -0.3110694231  -0.5587711681
H    2.7651618049  -3.5348922304   1.8620337892
H   -4.4175867270   3.0265258882   1.9768198681
H   -6.0223691347   1.5160481134   0.8414139266
*