! 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    1.6166473024   1.8885799602  -1.6640909604
F    2.3491629027   0.1397644092  -2.7390524812
O    0.9746303606  -0.9852462153   1.7309646083
N    0.6035215467  -0.9042982469  -0.5007216525
N    4.7815539575   0.3628831510   0.8291479675
N    4.5451571358   0.9147175151  -0.3527728670
C   -3.1406829779   0.9873961899   0.8658676802
C   -1.7701107587   0.3632279920   1.2149158236
C   -3.8961955344  -0.3561497430   0.9963366638
C   -2.0863237688  -0.2510507639   2.6009161900
C   -3.5478618004  -0.7395027995   2.4519406930
C   -1.7336752869  -0.7789166259   0.2356543821
C   -3.0532775066  -1.2298686645   0.1073427408
C   -3.2587940590   1.7138200717  -0.4705930702
C   -0.7260582086  -1.3720322634  -0.5037287210
C   -3.3847439664  -2.2711925757  -0.7335542834
C   -2.2360044465   2.8405802599  -0.5753180821
C   -4.6717730429   2.2597240566  -0.6515331709
C   -1.0590383161  -2.4203731746  -1.3694110588
C   -2.3661616177  -2.8620839663  -1.4821717523
C    1.3566451654  -0.7052392040   0.6029122832
C    2.7013260175  -0.1445047486   0.3878491573
C    3.2951434343   0.6184180919  -0.6442219862
C    3.7121201643  -0.2712953610   1.3181630510
C    2.7381090625   1.1583812464  -1.9074813241
C    6.0755267155   0.4863411656   1.4655441229
H   -3.4481862918   1.6813271841   1.6587296531
H   -0.9122642771   1.0317794176   1.2123553328
H   -4.9624768621  -0.3569252794   0.7743205705
H   -2.0048375575   0.5165702291   3.3719799426
H   -1.3941259351  -1.0488138666   2.8608848363
H   -3.6605929098  -1.8086475820   2.6329528807
H   -4.2127565656  -0.2217617269   3.1449783259
H   -3.0626383768   1.0067510425  -1.2836920804
H   -4.4088089661  -2.6079991276  -0.8353131942
H   -2.3755397443   3.4111098685  -1.4953351406
H   -2.3280543323   3.5389190922   0.2604833145
H   -1.2112347783   2.4654531428  -0.5815178342
H   -4.7755394508   2.7763683707  -1.6072037105
H   -5.4232775714   1.4691165383  -0.6267666182
H   -4.9197690362   2.9749096901   0.1368074175
H   -0.2821188204  -2.8836258836  -1.9655292610
H   -2.5949945155  -3.6687261547  -2.1662613161
H    1.0619866830  -0.8808333798  -1.3979140335
H    3.7328383676  -0.7729121956   2.2719708839
H    3.4599232553   1.7748420417  -2.4418896308
H    6.7330490275   1.0459070035   0.8091982760
H    5.9815535063   1.0144447477   2.4112392004
H    6.5026829600  -0.4971849934   1.6444086825
*