! 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 "WATER"
end
*xyz 0 1
Cl  -5.0247606527   1.6522618188  -0.1357492423
F   -1.1598329289  -2.9671046653  -0.4460637412
F   -0.5320167811  -2.0946230394   1.4162916451
F   -2.5754971435  -2.6954139771   1.1433498193
O    2.3636373475   1.4735627577   1.1594365637
N    2.6048358496  -0.8871430344  -0.5198395780
N    0.3901093090  -0.5603058369  -0.8926436986
N    4.7084266546  -1.5515848291  -0.4325587567
C    1.3839098600  -0.3248008995  -0.1463860550
C    1.3778137571   0.4833864950   1.1350962084
C    2.1260130262   2.5459768865   0.2628711195
C   -0.8695327529  -0.0221777276  -0.6501656677
C    3.2124424679   3.5842139900   0.4363902551
C   -1.8615650391  -0.7658507656  -0.0003845425
C   -1.1941721043   1.2385596502  -1.1441063278
C   -3.1390201316  -0.2468756923   0.1587856881
C    2.8539521094  -1.5636768758  -1.6987414727
C    3.2529271204   4.2031009544   1.8257611952
C    3.7709577142  -0.9175826301   0.1991159498
C   -1.5368656676  -2.1297078268   0.5255247271
C   -2.4651376568   1.7600920726  -0.9868611759
C   -3.4305267635   1.0119071791  -0.3346258697
C    4.1464597941  -1.9548099639  -1.6227711439
H    1.5658624734  -0.1897749449   1.9753063624
H    0.3788460072   0.9068385964   1.2813258280
H    1.1409575692   2.9887785067   0.4618487281
H    2.1189093598   2.1916136623  -0.7766301868
H    4.1807334951   3.1405723063   0.1898601123
H    3.0342540658   4.3619778903  -0.3094243589
H   -0.4418187008   1.8147183454  -1.6659432686
H   -3.9080952463  -0.8134852434   0.6640899193
H    2.1063232711  -1.6948766000  -2.4598727659
H    3.4820754045   3.4662533748   2.5952607695
H    4.0166466595   4.9790028664   1.8817519039
H    2.2972450150   4.6645423183   2.0810328651
H    3.8780168762  -0.4759608993   1.1745816444
H   -2.6948331905   2.7430374393  -1.3740804014
H    4.7099729441  -2.5074936855  -2.3568102523
*