! 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  -5.0702987118   1.5964781682   0.3428129996
F   -2.6249253487  -2.8153955050  -0.7115027596
F   -0.6538856323  -2.2008234539  -1.3023769375
F   -1.0198083745  -2.8589860283   0.7120370531
O    2.0955330247   1.4487518105  -1.8382247966
N    2.6562136350  -0.6301291318   0.0899986012
N    0.4774368178  -0.3816451211   0.6873879226
N    4.4140124048  -1.1752613168   1.3065420491
C    1.3611547255  -0.1960785947  -0.1989743238
C    1.1696225899   0.4369516817  -1.5592460470
C    1.8401123318   2.6986505637  -1.2100750851
C   -0.8241816459   0.0918859271   0.5434996328
C    2.4626827403   2.8538074091   0.1671702410
C   -1.8557742051  -0.7458760640   0.1049613970
C   -1.1370856411   1.3921609840   0.9303490489
C   -3.1616106306  -0.2791423129   0.0414730007
C    3.6830137278  -0.8864641848  -0.7968411271
C    3.9767709351   2.7149729312   0.1765700715
C    3.1682759014  -0.8161720909   1.3439068738
C   -1.5428903367  -2.1539743287  -0.2966438604
C   -2.4361319970   1.8620498842   0.8674069906
C   -3.4414178151   1.0214683516   0.4202058890
C    4.7432267153  -1.2315114991  -0.0277810155
H    0.1399594584   0.7981626195  -1.6452686453
H    1.2917451512  -0.3379897219  -2.3211933308
H    0.7598120287   2.8822954161  -1.1626985178
H    2.2600317962   3.4555946060  -1.8764263639
H    2.1849474689   3.8520475628   0.5161118913
H    2.0166326175   2.1626074561   0.8875397960
H   -0.3542696383   2.0430976470   1.2962390853
H   -3.9624964815  -0.9187802086  -0.3011663335
H    3.5747614460  -0.8317641400  -1.8654895691
H    4.3762118653   2.8855224893   1.1764092916
H    4.3042457459   1.7249270347  -0.1414105452
H    4.4407364752   3.4437420306  -0.4909284421
H    2.5799091577  -0.6580673513   2.2324416176
H   -2.6551837413   2.8772437016   1.1678763562
H    5.7281598349  -1.5172030310  -0.3593366663
*