! 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    3.6841481994  -1.6845892338  -1.6649632131
F    2.4233214063  -0.3953100716  -2.8857729841
F   -1.8314732135   2.9086673870  -1.0219980598
F   -3.5457318301   1.3255802582   3.0148544879
F   -2.9846130480   3.3798980805   1.3648589253
O    0.6455564510  -0.8663591314   1.5306573094
N    0.5815957664  -1.3065228329  -0.6802930774
N    3.5047574409   1.9713625331   0.5797911791
N    3.9556919635   1.4535463982  -0.5540250883
C   -1.7463472114  -1.8573357575  -0.1477474173
C   -0.4824071393  -2.2348685177  -0.6126099213
C    2.1764676227   0.2819204632   0.1765395269
C   -2.0537722251  -0.4686832861   0.2512428872
C    3.1677993212   0.4324977592  -0.8204201456
C    1.0819952025  -0.6767574003   0.4042090264
C    2.4513269952   1.3044942027   1.0606888834
C   -2.7452747769  -2.8272597938  -0.0826934876
C   -0.2502494377  -3.5386055271  -1.0313406232
C   -2.6590693170  -0.2236967124   1.4804234090
C   -1.7724924503   0.5936174648  -0.6046478094
C   -2.5122477325  -4.1282984587  -0.4995951193
C    3.4830724425  -0.3851715857  -2.0150534059
C   -1.2634336395  -4.4832929495  -0.9875145447
C    4.1173953368   3.1508283529   1.1537441634
C   -2.0875006678   1.8769597941  -0.2155739088
C   -2.9684515718   1.0700444847   1.8396204857
C   -2.6843904124   2.1335754982   1.0044824972
H    0.9516449922  -1.0994034765  -1.5957797972
H    1.9615646055   1.5983229317   1.9745938758
H   -3.7291507022  -2.5500708725   0.2740278919
H    0.7353486502  -3.8136256485  -1.3841468504
H   -2.8777693952  -1.0311627971   2.1666728736
H   -1.3308957163   0.4331435068  -1.5785823169
H    4.3578557296  -0.0151772398  -2.5480059847
H   -3.3088942813  -4.8583506717  -0.4522874802
H   -1.0712689116  -5.4938808300  -1.3210971104
H    4.3216234669   2.9858525491   2.2083073436
H    5.0517024639   3.3425928734   0.6367527682
H    3.4637379485   4.0132904646   1.0440487497
*