! 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  -5.1448656126   1.5057238346  -0.1925113350
F   -2.4354069948  -2.4358516095   1.7209500581
F   -1.1302021856  -3.0060966322   0.1197961173
F   -0.4081984679  -1.7265502342   1.6899662549
O    2.2353877517   1.7174493861   0.2214486648
N    2.4995722770  -0.9615276827  -0.7733905098
N    0.2491007746  -0.7335553688  -0.9985673629
N    3.8709082502  -2.3074875384  -1.8594860857
C    1.2991023353  -0.3493302815  -0.4092650567
C    1.3900036070   0.6935325505   0.6718236842
C    2.5211728121   2.6650190052   1.2359007595
C   -0.9977903794  -0.1733524576  -0.7459925212
C    3.5344189103   3.6636410193   0.7212561810
C   -1.8985679669  -0.7790998864   0.1374756511
C   -1.4054017862   0.9570529193  -1.4489852218
C   -3.1735481688  -0.2577780733   0.3084803602
C    3.7474795457  -0.7997138800  -0.2004803584
C    3.8469395875   4.7165919585   1.7737795018
C    2.6479577807  -1.8880238032  -1.7698421125
C   -1.4737947402  -1.9875654004   0.9131570594
C   -2.6748498625   1.4792714780  -1.2813119138
C   -3.5528083423   0.8656356128  -0.4034590596
C    4.5664452464  -1.6352824912  -0.8804590510
H    1.7725715294   0.2219536058   1.5879706202
H    0.3885202832   1.0704407001   0.9044466199
H    2.9149390929   2.1557824513   2.1261733224
H    1.6001576413   3.1788587730   1.5422941762
H    4.4503087111   3.1384690283   0.4387027980
H    3.1496056087   4.1453832157  -0.1810074209
H   -0.7215418162   1.4263563276  -2.1430296757
H   -3.8725429739  -0.7179979144   0.9920430107
H    3.9452637809  -0.1337487008   0.6196085987
H    2.9569847608   5.2867131513   2.0449901107
H    4.2414690190   4.2659116195   2.6861460777
H    4.5916492278   5.4242149243   1.4102156000
H    1.8238635603  -2.2039309473  -2.3866219476
H   -2.9716590995   2.3588792942  -1.8355086337
H    5.6209658593  -1.7921664996  -0.7231166283
*