! 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  -6.5544601574  -3.0261189483   1.4486802353
F    2.1781152335  -1.9690886978   0.7893998948
F    1.8093531866  -0.1724561025   1.9421178171
F    0.3077680085  -1.6638044509   1.7658093710
O    3.5189457490   0.2021526744  -0.0701666952
O   -2.4516035591  -0.7269152688  -2.0428849919
N    3.7826472450   3.1169479156   0.5059027953
N    4.8209709603   2.4990365967   1.0808413378
N    5.4107438655   4.5530554588   0.4115487006
C    2.7311069037   1.2042099254  -0.6651997747
C    1.3406865778   0.6248234170  -0.9264795628
C    2.5399519072   2.4220530905   0.2672539291
C    3.4268244993   1.6521000580  -1.9564798721
C    0.6985992831  -0.3675272736  -0.1624839222
C    0.6220690294   1.1567302766  -1.9971404494
C   -0.5664759738  -0.8259962868  -0.5311987605
C   -0.6459366627   0.7344076054  -2.3419339922
C   -1.2360817199  -0.2802728588  -1.6123079046
C    1.2712401025  -1.0308836734   1.0725075693
C    4.1548291513   4.3289039332   0.1018298935
C    5.7685454796   3.3998797290   1.0006734744
C   -3.3652505016  -1.2594584851  -1.1695904247
C   -3.6490592824  -0.6738834269   0.0570488082
C   -4.0614155079  -2.3811038944  -1.5943644647
C   -4.6300208067  -1.2246169227   0.8664650591
C   -5.0520770321  -2.9235580495  -0.7916420516
C   -5.3250067373  -2.3445326150   0.4372404464
H    1.8568676138   3.1357327172  -0.1901525144
H    2.1113550898   2.1255794133   1.2224726510
H    2.9788029236   2.5305988016  -2.4180434155
H    4.4677436018   1.9015895616  -1.7453652318
H    3.4295055053   0.8458543065  -2.6897946615
H    1.0581249939   1.9408993920  -2.5978588827
H   -1.0385619824  -1.6199796017   0.0283636160
H    4.2522075712   0.6278629285   0.3991567903
H   -1.1625105642   1.1809154073  -3.1811682898
H    3.4839848084   5.0106283501  -0.3963899017
H    6.7574026147   3.2159306023   1.3896022958
H   -3.1228874193   0.2106772117   0.3916339938
H   -3.8384791967  -2.8270346401  -2.5546884850
H   -4.8516938744  -0.7705866102   1.8223071399
H   -5.5978062298  -3.7947204504  -1.1266947978
*