! 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  -1.6732990249  -0.0872426898  -2.7780409300
Cl  -4.7967262565   3.0834996276   0.1692729227
F    4.2044473928   1.5536909045   0.1221973290
F    3.4188624171   0.1222187047   1.5330016879
F    4.3995590716  -1.9479815071   0.0032480865
F    5.8955249851  -0.5013419208   0.6692451288
O    2.6857899491   0.0738681272  -0.5761129415
N   -0.7852157339  -1.9300206329   0.8645311681
N   -1.1516160956  -2.7102564390  -0.1516792750
N   -2.6717237346  -2.7962173140   1.4891385863
C    0.2988570001  -0.1023026369  -0.3554594536
C    0.4048912452  -1.1180225149   0.7880139207
C    1.4901390480   0.8468705875  -0.3802159224
C   -0.9762187721   0.6989975733  -0.2633770763
C   -1.9225834887   0.7524255224  -1.2840710659
C   -1.2560044128   1.4254929358   0.8930301713
C    3.7328575593   0.2853261896   0.2220349338
C   -3.0981965594   1.4799990081  -1.1622851882
C   -2.4161828267   2.1629690922   1.0446080480
C   -1.7010957578  -1.9833577474   1.8325934437
C   -3.3336316219   2.1785451749   0.0075093653
C    4.8488922855  -0.6841175880  -0.1648213177
C   -2.2855588455  -3.2113961905   0.2678800926
H    0.3036368721  -0.6657646989  -1.2894114018
H    1.2622689522  -1.7723133900   0.6359420712
H    0.5288302117  -0.6317214829   1.7554379829
H    1.3999757377   1.5378450716  -1.2192160566
H    1.5393931474   1.4420420808   0.5343162465
H   -0.5494698016   1.4190835138   1.7139975409
H   -3.8163994477   1.4974755621  -1.9701434951
H   -2.5979182943   2.7116460365   1.9581111069
H   -1.6163873260  -1.4276563952   2.7533761698
H    5.1741584790  -0.5458574634  -1.1964487464
H   -2.8563547352  -3.9052446930  -0.3297169412
*