! 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  -4.4387566448   2.0990258591  -0.3938856820
F    0.0024903834  -1.6072695191   1.6213733898
F   -2.1088667491  -1.9491043937   1.7628275586
F   -1.0058143536  -2.7424533955   0.1007730344
O    1.4093067421   1.9992674791   0.1716900716
N    2.9613263201  -1.1062172466  -1.0317393314
N    0.7558222600  -0.6316489008  -0.9207031813
N    4.9865130505  -1.9146688547  -1.3807846842
C    1.9280502300  -0.1996141452  -0.7495875821
C    2.4146484555   1.1608891992  -0.2917302054
C    1.0670182702   1.8074805853   1.5345864852
C   -0.4290340040   0.0654782070  -0.7685320289
C   -0.1269612344   2.6742524773   1.8677969737
C   -1.3971145559  -0.4248958068   0.1169882248
C   -0.7532773827   1.1572438345  -1.5729677899
C   -2.6275237619   0.2092754151   0.2393368904
C    2.8002917855  -2.4312649019  -1.3832458449
C   -0.5738921281   2.4713093238   3.3065537189
C    4.3063657879  -0.8609620798  -1.0485689930
C   -1.1250938468  -1.6743907773   0.8998452390
C   -1.9826294886   1.7764417387  -1.4712502460
C   -2.9074895340   1.3084667115  -0.5501342205
C    4.0527528476  -2.9037662549  -1.5862531268
H    2.8915688254   1.6452432196  -1.1499555222
H    3.1945362823   1.0138087006   0.4655783056
H    1.9222122028   2.0681330200   2.1720990911
H    0.8329902251   0.7563879980   1.7362865301
H    0.1248830516   3.7242725183   1.6994049049
H   -0.9493768862   2.4310130210   1.1910994544
H   -0.0339054047   1.5201252031  -2.2940617989
H   -3.3714248786  -0.1503810026   0.9355080883
H    1.8337401967  -2.8987040294  -1.4379379827
H   -0.8769623211   1.4384567169   3.4865775559
H    0.2221718966   2.7106146349   4.0132430200
H   -1.4255814512   3.1083420663   3.5431574107
H    4.7330810337   0.1021803507  -0.8229999666
H   -2.2102320849   2.6254342516  -2.1007086101
H    4.3392108073  -3.9037516302  -1.8681857657
*