! 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  -5.0941675143   1.4643881484   0.5183063987
F   -0.2780087465  -1.2549427307  -1.9028197882
F   -1.0492376016  -2.8611930012  -0.6998754080
F   -2.2993902876  -1.9265058234  -2.1726030667
O    2.2229507272   1.7926341893   0.4105342331
N    2.5466753924  -1.0450049986   0.7331888507
N    0.2870826494  -0.9070980359   0.9586575338
N    3.9269006986  -2.5933969184   1.4884172247
C    1.3404502750  -0.3821868752   0.4962287644
C    1.4335796907   0.8832384652  -0.3122800132
C    2.3457752841   3.0623700452  -0.2118770738
C   -0.9598007760  -0.3075828430   0.8043948657
C    3.1231081642   3.0516816664  -1.5170176175
C   -1.8266808080  -0.6888449810  -0.2261374468
C   -1.3960552897   0.6291058561   1.7367159500
C   -3.0974487045  -0.1374767014  -0.3145798264
C    3.7993915007  -0.7338158918   0.2372837118
C    3.3141025728   4.4672742134  -2.0414663832
C    2.6983233782  -2.1803142171   1.4820790979
C   -1.3692658373  -1.6846155552  -1.2470053938
C   -2.6621236949   1.1792449150   1.6533566569
C   -3.5059425407   0.7898770956   0.6267447888
C    4.6240298757  -1.6954009822   0.7124598418
H    0.4292990937   1.2815856186  -0.4924400595
H    1.8593382024   0.6390184036  -1.2936261012
H    2.8590238712   3.6918986421   0.5173864285
H    1.3506630329   3.4981200636  -0.3741105275
H    4.0968225618   2.5797311040  -1.3589072951
H    2.6011221417   2.4609231959  -2.2739015549
H   -0.7381368295   0.9221103302   2.5435833176
H   -3.7714294322  -0.4213488473  -1.1101973821
H    3.9973318608   0.1097620481  -0.3981945695
H    2.3564750928   4.9625405573  -2.2104042361
H    3.8842705041   5.0795903805  -1.3411145327
H    3.8516710675   4.4633689524  -2.9892372707
H    1.8717293323  -2.6464912115   1.9909739187
H   -2.9814911021   1.9053419973   2.3879712557
H    5.6832295040  -1.7937997589   0.5392213690
*