! 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  -7.5956158961  -0.9129587169  -0.2677033308
F    2.3541832892  -2.7782623075   1.3471190265
F    3.5639355055  -1.9699802442  -0.2100327193
F    3.2203421647  -0.8546373616   1.6153490099
O    3.7175118564   0.7165944031  -0.4938058613
O   -1.9249139914  -2.3648823484  -0.4941381245
N    3.2994952237   3.1984099965   0.8841493816
N    2.9798067107   4.4552837902   0.5598445129
N    5.1737589931   4.2943277531   1.0014356401
C    2.4436394302   1.3119317700  -0.4865115714
C    1.3166366113   0.2702277752  -0.4517250960
C    2.3382752203   2.1239033829   0.8154282513
C    2.3328651016   2.2334103415  -1.7053086690
C    1.4018537669  -1.0299168869   0.0831276024
C    0.0769336957   0.6592870889  -0.9565106614
C    0.2885711020  -1.8656910280   0.0598638102
C   -1.0329583763  -0.1646062958  -0.9825731809
C   -0.9177952276  -1.4436729218  -0.4708802241
C    2.6423237023  -1.6370717790   0.7004580968
C    4.6058964437   3.1197765930   1.1346372183
C    4.1315301519   5.0675914820   0.6463636404
C   -3.2351372896  -1.9617153144  -0.4403868705
C   -3.6790022376  -1.0190757356   0.4776769175
C   -4.1264606744  -2.5857146268  -1.2989815132
C   -5.0244950914  -0.6918114339   0.5256496738
C   -5.4749745230  -2.2697142035  -1.2414815365
C   -5.9131227536  -1.3192139393  -0.3339677622
H    1.3481446418   2.5668272235   0.8978314858
H    2.4780354278   1.4810597927   1.6822318079
H    2.2243589916   1.6500015164  -2.6213818358
H    1.5006431466   2.9322555221  -1.6527953435
H    3.2432281393   2.8266827308  -1.7959403683
H   -0.0451749888   1.6514102926  -1.3646539075
H    0.3361061603  -2.8702125351   0.4543929524
H    3.9095482578   0.4176454905  -1.3900086822
H   -1.9572009510   0.2014048613  -1.4090072919
H    5.0957421779   2.2065737399   1.4298076591
H    4.2229280383   6.1245834620   0.4515699620
H   -2.9932258884  -0.5382694272   1.1631182812
H   -3.7741604590  -3.3223354195  -2.0088113965
H   -5.3713654654   0.0422438451   1.2396573972
H   -6.1698929182  -2.7591617171  -1.9096075789
*