! 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    2.7392870067   3.0851040218   0.9073025110
F    0.5864040619   2.7575210144   0.9911827790
F   -1.4171722546   2.2291307929  -2.3222564127
F   -2.7794314438   1.6165920893   2.0945757675
F   -2.4508003602   3.2226962335  -0.0397817840
O    1.3802795552  -0.4401651440   2.7991654530
N    0.4235765439  -2.1108286727   1.6583710573
N    2.3499654916   0.0009412996  -1.5575193122
N    2.3640158728   1.1941054100  -0.9783414395
C   -0.9809935421  -2.1607449019  -0.3666273932
C   -0.1174579633  -2.7850583755   0.5423507435
C    1.6224744222  -0.3622706097   0.4664730433
C   -1.3690082019  -0.7391398502  -0.2556319018
C    1.9388841471   0.9955274131   0.2509451466
C    1.1330426699  -0.9589216405   1.7146661142
C    1.9159647621  -0.9639710775  -0.7421159377
C   -1.4660855343  -2.9083599734  -1.4386007445
C    0.2060070934  -4.1278008009   0.3829385667
C   -1.9029204870  -0.2242353590   0.9226389576
C   -1.2104102422   0.0919369199  -1.3621921574
C   -1.1434888229  -4.2464961405  -1.5933903283
C    1.7951750083   2.1476025580   1.1829546420
C   -0.3099623052  -4.8612862221  -0.6724729240
C    2.7992517935  -0.1604135214  -2.9232107487
C   -1.5748843853   1.4171151421  -1.2758638504
C   -2.2598075654   1.1053865963   0.9772551858
C   -2.1029634437   1.9398471466  -0.1121591880
H    0.2472079524  -2.5378401775   2.5583382907
H    1.8756043962  -1.9922699247  -1.0617446978
H   -2.1331163309  -2.4361302586  -2.1478342693
H    0.8778136676  -4.5944883637   1.0910803022
H   -2.0587617502  -0.8475805465   1.7924646839
H   -0.7883727201  -0.2813525557  -2.2864087876
H    1.8722948997   1.8693701601   2.2300218199
H   -1.5497612919  -4.8062960804  -2.4246872510
H   -0.0500335908  -5.9054126367  -0.7794912098
H    3.8209331788  -0.5344884533  -2.9535093674
H    2.1482316232  -0.8571794829  -3.4450084238
H    2.7551645600   0.8031936114  -3.4209933078
*