! 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  -5.0488822502   1.3500005446   0.7418740454
F   -0.6835214485  -2.2575117560  -1.4453227880
F   -1.8165745575  -0.8560050993  -2.6114653535
F    0.1172864576  -0.3044620729  -1.8561435133
O    2.4412992553   1.0896653875  -0.4308430361
N    2.5482956819  -1.3196586919   0.9730151405
N    0.2857307835  -1.1512350898   0.9978861589
N    4.6659785923  -1.8675174201   1.2615165493
C    1.3907194206  -0.5470269469   0.8882489036
C    1.5931713506   0.9284540101   0.6724385961
C    2.6906858015   2.4423876638  -0.7719354040
C   -0.9376323554  -0.4963797052   0.9067012221
C    1.5695997474   3.0862003331  -1.5704709184
C   -1.6409537450  -0.4322492966  -0.3022498831
C   -1.5303067959   0.0223890454   2.0547388383
C   -2.9053882650   0.1389652146  -0.3507061405
C    2.6113037352  -2.6968838111   0.8930108227
C    1.9563024168   4.4948813649  -1.9970577619
C    3.8256098229  -0.8825821572   1.1962046328
C   -1.0114167580  -0.9649481150  -1.5522988237
C   -2.7883002483   0.5948222496   2.0101006851
C   -3.4698698309   0.6458421591   0.8057368888
C    3.9174349858  -3.0063116881   1.0651440416
H    2.0191653707   1.3683924989   1.5859750634
H    0.6169236426   1.4006034618   0.5293363726
H    3.6060370269   2.4346742180  -1.3676681224
H    2.8992041514   3.0310392302   0.1310979618
H    1.3577836578   2.4746514246  -2.4507984309
H    0.6491906983   3.1250313001  -0.9816937975
H   -0.9997414437  -0.0314122321   2.9957346777
H   -3.4528694357   0.1935175890  -1.2807831435
H    1.7434901722  -3.3039411461   0.7064754640
H    1.1602066178   4.9653850218  -2.5733849849
H    2.1577453408   5.1327876421  -1.1347017850
H    2.8531333090   4.4890715149  -2.6191704132
H    4.0799940878   0.1559904534   1.3240719790
H   -3.2290128179   0.9961807918   2.9121470235
H    4.3682973796  -3.9853340724   1.0557853870
*