! 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    0.4249250449   1.1183264057  -1.7986087162
F    5.5799715468  -0.2984757222  -0.1336313954
O   -0.2580438808  -1.0113998897   1.7756977550
N   -2.1415977887  -1.5397435713  -0.2844366908
N   -2.7285186250  -2.3374895482   0.6116203938
N   -4.2517936461  -1.0238315497  -0.3847970317
C   -0.0166894870  -0.5206027679   0.4767276948
C   -0.7124338280  -1.5137011106  -0.4712656910
C    1.4890391865  -0.4681997022   0.2369113229
C   -0.6429955997   0.8564214191   0.2831056965
C    2.2236994959   0.5330704217   0.8695185061
C    2.1738510261  -1.4151962787  -0.5156329080
C   -0.4045007648   1.6082401720  -0.8601115898
C   -1.5358324728   1.3879176445   1.2078517877
C    3.6024963404   0.5991480862   0.7547554755
C    3.5549230143  -1.3635431085  -0.6483830600
C   -0.9926006593   2.8336662363  -1.0944612949
C   -2.1421328014   2.6193480245   1.0012697130
C   -3.0595642106  -0.7598477299  -0.8577531709
C    4.2449632024  -0.3555244028  -0.0088535022
C   -1.8706500099   3.3434906171  -0.1488491917
C   -3.9848258673  -1.9933626114   0.5103058378
H   -0.5124765410  -1.2580976804  -1.5099519506
H   -0.3439216395  -2.5240257441  -0.3039743508
H    1.7227204409   1.2915053439   1.4595084346
H    1.6515762523  -2.2137569549  -1.0242094395
H   -1.7705632955   0.8305071222   2.1040092283
H    0.2086545988  -0.4582654753   2.4136779053
H    4.1633260038   1.3821086063   1.2474805436
H    4.0798273289  -2.1000429009  -1.2419832996
H   -0.7676529526   3.3767023261  -2.0029576129
H   -2.8300991274   3.0074962475   1.7397924428
H   -2.8237343182  -0.0387060802  -1.6246530529
H   -2.3401167171   4.3029100679  -0.3182051332
H   -4.7480395356  -2.4701301954   1.1049671225
*