! 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   0.6846222276  -1.6901739021   2.1906903909
F   -4.5530596532   2.6247201001   0.5579484615
O    0.7263714104   0.0152510202  -1.8201797906
N    2.9960217909   1.1982102042  -0.4106214037
N    3.6429546403   1.2527593776  -1.5772471925
N    4.8812604341   0.1829468018  -0.0407794508
C    0.5694074989   0.7188178057  -0.6073640570
C    0.8027344131  -0.7327166334  -0.6211570964
C    1.6606426469   1.7071987028  -0.2472188824
C   -0.8014952022   1.2298488973  -0.3143216734
C   -0.3128372710  -1.6625016813  -0.3174682849
C   -1.6801009133   1.5610437142  -1.3377855295
C   -1.2078616796   1.3751580567   1.0084557286
C   -0.4547350741  -2.1687294448   0.9695078519
C   -1.2494229818  -2.0318731440  -1.2747175674
C   -2.9515832031   2.0359239058  -1.0503290622
C   -2.4743824076   1.8464629435   1.3131517325
C    3.7414666240   0.5514236183   0.4876688605
C   -1.4898783198  -3.0218425907   1.3108379384
C   -2.2924581539  -2.8866718309  -0.9513521630
C   -3.3234083794   2.1691659933   0.2721857803
C   -2.4125883136  -3.3811552056   0.3391472984
C    4.7640638583   0.6395526452  -1.3024448282
H    1.7963495363  -1.1143009310  -0.3907800670
H    1.5395581776   2.0124130507   0.7916243373
H    1.5571682466   2.6039170676  -0.8574888890
H   -1.3834354313   1.4474802223  -2.3717954142
H   -0.5410199639   1.1064814556   1.8185971271
H   -1.1627411497  -1.6445739478  -2.2807440663
H   -3.6394788292   2.2948952111  -1.8441619363
H   -2.7952497805   1.9540749483   2.3405715559
H    3.4220040797   0.3881344272   1.5052149615
H   -1.5799203260  -3.3971658662   2.3209924355
H   -3.0127113273  -3.1645760978  -1.7087158323
H   -3.2260051424  -4.0453098776   0.5979354277
H    5.5366394712   0.5190433908  -2.0451276875
*