! 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
F   -2.3117217404  -2.1195259648  -0.3589734489
F   -3.5608610612  -1.4053255147  -1.9505008029
F   -1.5509929523  -0.6750695281  -1.7623020891
O    4.5597425063   0.1200532972  -0.0511870150
O   -0.0990326848   1.7322624292  -0.1593980005
N   -0.2013123042  -0.2726634183   0.9261469402
C    4.4372317667   1.3643947843  -0.7523527891
C   -2.2279132559   0.9276159371   0.4828939863
C    1.1270573117  -0.7199880579   0.9335048609
C    3.4719643665  -0.5169167712   0.4292928033
C   -3.1238146874   0.0869556851  -0.1827727998
C    2.1840244157   0.0140530405   0.3959811894
C   -0.7341538299   0.8315459127   0.3610315226
C    5.8169590356   1.9879456350  -0.7479675476
C    3.9205575802   1.1436478332  -2.1627449365
C    1.3568030823  -1.9674684578   1.5084235559
C    3.7044202879  -1.7689505868   0.9980654055
C   -2.7202778328   1.9677357402   1.2618721280
C   -4.4919622764   0.2794949963  -0.0340425999
C    2.6445849014  -2.4767030303   1.5348707151
C   -2.6392380324  -1.0254815558  -1.0648546595
C   -4.0855101218   2.1518756905   1.4116322343
C   -4.9712096719   1.3044903222   0.7659728829
H    3.7592939473   2.0264370289  -0.2037093745
H    1.9949660912   0.9822937810  -0.0335760092
H   -0.8502703156  -0.8877863229   1.3946360346
H    6.1787542383   2.1497605577   0.2676855636
H    6.5382427885   1.3644657624  -1.2788950026
H    5.7833227991   2.9569140606  -1.2453268902
H    3.8219571672   2.1019625685  -2.6729761013
H    2.9419357816   0.6632860313  -2.1839050640
H    4.6129885083   0.5262609936  -2.7373388495
H    0.5369079741  -2.5383659814   1.9261319699
H    4.7078982083  -2.1736661777   1.0194803196
H   -2.0306993060   2.6328336834   1.7647653165
H   -5.1985153136  -0.3593388698  -0.5449636830
H    2.8224073918  -3.4468158226   1.9792096186
H   -4.4540426366   2.9593210576   2.0291167630
H   -6.0379388719   1.4423989112   0.8742421504
*