! 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  -5.2850438925   1.1752243780   0.6782060180
F   -0.1905234369  -0.7277596820  -1.9831320449
F   -0.9914617581  -2.5903051932  -1.2637440415
F   -2.1635975689  -1.3477966877  -2.5628788914
O    2.2758003080   1.4486293328  -0.3221715412
N    2.4479665814  -1.0570428568   0.8874238631
N    0.1813982205  -1.0214405545   0.8562157667
N    4.5795893383  -1.5153533089   1.2252217010
C    1.2490998933  -0.3454963696   0.8171350176
C    1.3683371044   1.1494346186   0.7016282890
C    2.5582695062   2.8341593010  -0.4032400095
C   -1.0764665215  -0.4351330768   0.7897686044
C    3.6333114828   3.0690556120  -1.4415499369
C   -1.8738775578  -0.6071169465  -0.3475168093
C   -1.6042178883   0.2467007932   1.8824639867
C   -3.1666793950  -0.1056000620  -0.3821993518
C    2.5858004220  -2.4216219533   0.7265277665
C    3.9358416146   4.5527410035  -1.5872695952
C    3.6914412463  -0.5713420991   1.1861473660
C   -1.3083504540  -1.3196715788  -1.5373936334
C   -2.8936181611   0.7474498676   1.8534320614
C   -3.6679627825   0.5640160151   0.7206985407
C    3.8993820951  -2.6754573305   0.9303156655
H    1.6952347267   1.5513662383   1.6721404882
H    0.3802562390   1.5786035186   0.5035808432
H    2.8925586008   3.2085125475   0.5741160271
H    1.6478815643   3.3904850667  -0.6639774202
H    4.5402157639   2.5315532583  -1.1535406290
H    3.3108004244   2.6615462364  -2.4029375385
H   -1.0017592727   0.3746554053   2.7720802924
H   -3.7870820223  -0.2300856511  -1.2583636028
H    1.7574715972  -3.0578196831   0.4703763102
H    3.0565928773   5.1082604104  -1.9173444376
H    4.2665570029   4.9881219072  -0.6427696103
H    4.7247729341   4.7219243579  -2.3196128941
H    3.8865925293   0.4676899519   1.3904477637
H   -3.2843735829   1.2751711124   2.7123863546
H    4.3998442437  -3.6286768270   0.8780019544
*