! 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  -1.1411200691   1.1769125751  -2.8026081689
Cl  -4.3290349713   4.6053797964  -0.2341141354
F    3.3919420872   0.4749971246   0.5737748362
F    2.6948341710  -0.8834585943   2.0984726864
F    4.8990649788  -1.7399153309   0.7531974679
F    3.8014852657  -1.6757419098  -1.1337981441
O    1.5958069033  -0.7835384268   0.1552337952
N   -0.5330512753  -2.5411628194   0.7869832518
N   -0.2838935854  -3.2545954479  -0.3116644057
N    0.9140131641  -4.0319085968   1.4191543473
C   -0.7234132461  -0.2303885837  -0.0764994890
C   -1.3535671568  -1.3546923652   0.7512734227
C    0.6309664563   0.2401928072   0.4429266143
C   -1.6413744023   0.9670100832  -0.1345428931
C   -1.8857406461   1.6655456006  -1.3164292007
C   -2.2450273823   1.4585437313   1.0210183003
C    2.7868718890  -0.7245250310   0.7517879456
C   -2.7101771055   2.7791726938  -1.3618216774
C   -3.0693139865   2.5706993101   1.0108998361
C    0.1956201800  -3.0028265899   1.8012819942
C   -3.2989602685   3.2191597620  -0.1897187004
C    3.6705326158  -1.8435804276   0.2004134399
C    0.5849231681  -4.1332661044   0.1171835495
H   -0.5804043279  -0.6114105883  -1.0891991559
H   -1.5112696537  -1.0579713918   1.7867723021
H   -2.3258859211  -1.6132511915   0.3339082592
H    0.9202034060   1.1603692069  -0.0681870241
H    0.5791624488   0.4464873463   1.5156180797
H   -2.0721707818   0.9697292335   1.9705670215
H   -2.8845720986   3.2935999924  -2.2962694474
H   -3.5209023548   2.9201374953   1.9283809262
H    0.1546667192  -2.5805903631   2.7929007734
H    3.2608891157  -2.8331371237   0.4068466216
H    0.9922883072  -4.8894484825  -0.5354665748
*
