! 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    4.8460413326   1.7274526548  -0.5758149906
F   -2.1673208172  -1.9439371620  -1.6950112302
F   -2.5238093547  -0.0225265250  -2.6593414608
O   -0.9100584358   0.8191904323   1.7767561372
N   -0.5565518837   0.5961603101  -0.4435733428
N   -4.8795510344   0.0626500487   0.9748769136
N   -4.7781308060  -0.4854103347  -0.2277751359
C    3.9222570895  -0.6712109382   0.9624755069
C    2.8239124653  -1.4614180980   1.7121944855
C    1.4845886479  -1.2184049059   0.9939683764
C    3.0988670956   0.3607347179   0.2224596906
C    1.7371349664   0.0705774060   0.2543780823
C    4.9139837882  -0.0643853287   1.9537362924
C    4.6727866042  -1.5582249349  -0.0362848151
C    1.0782624669  -2.3459861896   0.0464206484
C    0.8271167643   0.8833026956  -0.4170483608
C    3.5314273612   1.4506103490  -0.5072147699
C    1.2947246745   1.9810822729  -1.1317995505
C    2.6500702909   2.2673330778  -1.1880962810
C   -1.3386927012   0.5691792942   0.6568719102
C   -2.7589590769   0.2311652986   0.4662001950
C   -3.5069598689  -0.3927410237  -0.5602037369
C   -3.7042593301   0.4969238935   1.4362857036
C   -3.1071471979  -0.9736883835  -1.8635125211
C   -6.1534970387   0.1253212136   1.6594345430
H    2.7505557493  -1.0833345459   2.7344498414
H    3.0690518318  -2.5229030022   1.7851329111
H    0.6913205645  -1.0983670615   1.7325883979
H    5.3437596983  -0.8519581227   2.5759984127
H    5.7406720514   0.4439902176   1.4581031019
H    4.4250804556   0.6500762374   2.6177633015
H    5.4019129892  -0.9853421824  -0.6112490611
H    5.2143582669  -2.3475992923   0.4887631251
H    3.9964227298  -2.0372155285  -0.7451544341
H    0.9634379297  -3.2802962986   0.5977644027
H    1.8211537433  -2.5103204982  -0.7349487520
H    0.1265773339  -2.1354603762  -0.4405651627
H    0.5947000092   2.6206273209  -1.6539303563
H    3.0119840125   3.1183702416  -1.7495453016
H   -0.9981398370   0.6058234654  -1.3493279370
H   -3.6090750577   0.9680049945   2.4009566738
H   -3.9568067051  -1.3926021824  -2.4006267063
H   -6.1376184084  -0.4996137365   2.5490870517
H   -6.3753366794   1.1505545344   1.9437864753
H   -6.9255494847  -0.2314326839   0.9864469086
*