! 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  -4.9353061831   1.7368017346   0.3408578931
F   -2.6805696360  -2.8019980768  -0.5946359525
F   -0.6975257756  -2.2793659257  -1.2333255731
F   -1.0550201062  -2.8676745416   0.8041542714
O    2.2204224189   1.2324868261  -1.9279118589
N    2.6948319789  -0.8230236051   0.0999464671
N    0.5322165854  -0.4489402195   0.6847202540
N    4.3216946944  -1.6947630048   1.3113509108
C    1.4305570709  -0.3136559928  -0.1966936695
C    1.2491520475   0.2905792692  -1.5726699538
C    2.0640259772   2.5275788431  -1.3685253858
C   -0.7479709590   0.0723846016   0.5341428228
C    2.7141756547   2.7052145458  -0.0062908534
C   -1.8200213893  -0.7401502256   0.1466516170
C   -1.0021074489   1.4007831001   0.8659347881
C   -3.1073508935  -0.2246575948   0.0856438083
C    3.7755765162  -0.9839184182  -0.7477482177
C    2.6682708657   4.1657554325   0.4189533271
C    3.0969172659  -1.2722546522   1.3296800749
C   -1.5676602641  -2.1709456274  -0.2152650986
C   -2.2823729251   1.9194705073   0.8047492389
C   -3.3285610178   1.1004808424   0.4150698826
C    4.7534097396  -1.5253496027   0.0152184826
H    0.2410521338   0.7106334839  -1.6439016543
H    1.3033109554  -0.5219790820  -2.3028439376
H    1.0007342837   2.7970242753  -1.3252541107
H    2.5329630849   3.2131189887  -2.0780779254
H    2.2169457614   2.0967516654   0.7541758445
H    3.7509651601   2.3634842960  -0.0542247258
H   -0.1862792318   2.0338309749   1.1892390420
H   -3.9388220427  -0.8449419923  -0.2176393528
H    3.7614733022  -0.7233899635  -1.7901157787
H    1.6425547016   4.5350435493   0.4764275336
H    3.1213113653   4.3038483438   1.4000248043
H    3.2081619763   4.8000570005  -0.2860446214
H    2.4466862383  -1.2556302737   2.1879118242
H   -2.4558373069   2.9549980414   1.0623463004
H    5.7485001647  -1.8014456358  -0.2931458607
*