! 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  -1.7935371750   0.3467616698  -2.8183894287
Cl  -1.7645897151   4.9969185785  -0.1890785964
F    3.2408847333  -0.7893908483  -0.8821157233
F    2.0984307866   1.0409040228  -0.8295002985
F    4.3461865981   1.0877536130   0.6971230069
F    3.6220026011  -0.6110338369   1.8628773981
O    1.3804304172  -0.7191743879   0.3455842702
N   -1.2384680539  -3.0713571443   1.0807332265
N   -2.1835211510  -3.7675575019   0.4438062050
N   -0.5639808970  -5.1352456980   1.1800927689
C   -0.9429595031  -0.9809422321  -0.1805807337
C   -1.2832698489  -1.6306930160   1.1640996950
C    0.4829702515  -1.2775885217  -0.6264041651
C   -1.1838899469   0.5078023574  -0.1721987768
C   -1.5542609794   1.1973438895  -1.3263068368
C   -0.9888213446   1.2721572492   0.9755461012
C    2.4440328607  -0.0382796505  -0.0810799220
C   -1.7393532333   2.5704463676  -1.3473274203
C   -1.1640049946   2.6456001099   0.9895946974
C   -0.2801416905  -3.8966204576   1.5018134792
C   -1.5397264808   3.2840070234  -0.1788074417
C    3.2333305857   0.4561836923   1.1298440504
C   -1.7363314265  -4.9930991126   0.5351569724
H   -1.5943850537  -1.4398470310  -0.9281780363
H   -0.5944773446  -1.3400895129   1.9550428133
H   -2.2828881516  -1.3369255121   1.4805797135
H    0.6673846098  -2.3516647054  -0.6861126833
H    0.6511349271  -0.8653693168  -1.6221460039
H   -0.6957241059   0.7959513822   1.9007403838
H   -2.0324304052   3.0703893016  -2.2597239824
H   -1.0047973146   3.2036366047   1.9013432243
H    0.5896998551  -3.5586556506   2.0431418984
H    2.6477569004   1.1330984760   1.7525728010
H   -2.2850333831  -5.8244724559   0.1216410986
*
