! 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  -1.2632829665   0.1943076175  -2.9569777289
Cl  -2.2890633173   3.6753456109   0.9634004279
F    3.8353846632   0.2312902083  -1.2623069776
F    2.0340794096   1.2843286217  -0.7231902157
F    2.5445607126   0.8197244389   1.9488082201
F    4.1275361304   1.8685731416   0.8723205044
O    2.2350532212  -0.8755448474  -0.1725579424
N   -1.4043699312  -2.9343873497   0.6785311922
N   -2.4209941491  -3.1334559490  -0.1617431020
N   -3.1567241494  -3.0650949178   1.9578849340
C    0.0218943161  -1.6016482002  -0.8237903836
C   -0.0559193906  -2.7268097607   0.2066874776
C    1.4637469903  -1.3904146546  -1.2688600626
C   -0.5945138322  -0.3040342960  -0.3687850217
C   -1.1824992450   0.5825786766  -1.2685512401
C   -0.5390102610   0.1018938567   0.9614644332
C    2.8627176906   0.2944612602  -0.3156622827
C   -1.7070635394   1.8038577352  -0.8778594976
C   -1.0541849634   1.3139208711   1.3876377633
C   -1.8578422037  -2.8871149355   1.9296100068
C   -1.6376846385   2.1560830136   0.4582899513
C    3.5108365399   0.6744535310   1.0153796261
C   -3.4432314212  -3.2084927458   0.6512906468
H   -0.5045279600  -1.9552391210  -1.7125047944
H    0.3085712396  -3.6460449945  -0.2524680397
H    0.5658966302  -2.5435740587   1.0813111141
H    1.9127242601  -2.3386153207  -1.5664488624
H    1.4938287306  -0.7291918460  -2.1355148724
H   -0.0753211229  -0.5324652233   1.7037594811
H   -2.1590300476   2.4649007984  -1.6039264246
H   -0.9951220347   1.5920784948   2.4303695140
H   -1.2142976086  -2.7368964553   2.7822484253
H    4.2316540118  -0.0728801238   1.3470931807
H   -4.4433223967  -3.3750264882   0.2830756738
*
