! 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  -4.4096544308   2.0433549757   0.8135946819
F   -0.8388677926  -2.7183195002  -0.1762737641
F   -2.2492923338  -1.9482625606  -1.5999215623
F   -0.1735416890  -1.4339466079  -1.7628906946
O    1.0346401748   1.2827808048  -1.1522588285
N    2.9531688062  -1.3361387011   0.5532124895
N    0.8269968257  -0.6653338651   0.9680636560
N    4.1521061482  -2.8795411785   1.5787094352
C    1.8558320890  -0.5157581723   0.2552709020
C    2.0909924284   0.4163067639  -0.9123283341
C    1.1785476842   2.5581447767  -0.5487929482
C   -0.3798783804   0.0057122004   0.8483453933
C    0.0030836123   3.4253336387  -0.9359513580
C   -1.3992371183  -0.4423639355  -0.0021621915
C   -0.6605506516   1.0519315421   1.7257903185
C   -2.6351510645   0.1898131506  -0.0121457124
C    4.1661085519  -1.3987860100  -0.1070358614
C   -0.0916025881   3.6985821817  -2.4294944343
C    3.0133040668  -2.2588817605   1.5603262764
C   -1.1676664000  -1.6292060739  -0.8837872618
C   -1.8889940264   1.6845951961   1.7173367230
C   -2.8686454852   1.2547695975   0.8381271352
C    4.8800191294  -2.3509014854   0.5385939104
H    2.2551904154  -0.1987260105  -1.8030218203
H    3.0290628479   0.9566393969  -0.7335072875
H    2.1158803974   3.0223719851  -0.8831859143
H    1.2388105075   2.4692780396   0.5425315355
H   -0.9210930012   2.9664941604  -0.5756845800
H    0.1083420959   4.3681757159  -0.3939789967
H    0.0985923841   1.3730887491   2.4259038083
H   -3.4211075573  -0.1425849820  -0.6753734093
H    4.4156596283  -0.7857980457  -0.9549835647
H   -0.9112244299   4.3838471665  -2.6471121096
H    0.8253770242   4.1544861309  -2.8078371892
H   -0.2697697805   2.7872944422  -3.0001891745
H    2.1940964860  -2.4208242921   2.2399528757
H   -2.0753624995   2.5044488825   2.3972538732
H    5.8793843751  -2.6862381218   0.3140293768
*