! 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    0.4903904600   2.3513241270  -0.7475874393
F    2.1532802912   3.1762829901  -1.9014043286
F   -1.3434808562   2.1147671886   2.2332272693
F   -3.7340756503   1.3602227336  -1.6987377946
F   -2.8595337415   3.0466812748   0.2122583335
O    0.4506392230  -0.8280340804  -1.4079114590
N    0.9144082091  -1.8728054081   0.5457621460
N    4.2479828010   0.7355728942   0.3972509805
N    3.6879122105   1.6872168463  -0.3417197423
C   -1.4806386907  -2.3679124285   0.3962491075
C   -0.1521448506  -2.7946410535   0.5061085303
C    2.3120247953  -0.0831197717  -0.1829098270
C   -1.8452471099  -0.9363624572   0.3593504138
C    2.5195312338   1.2065373153  -0.7083465638
C    1.1484917741  -0.9473685800  -0.4119779082
C    3.4661215798  -0.3412541828   0.5279372562
C   -2.4842459367  -3.3332829276   0.3395603287
C    0.1411304074  -4.1500584418   0.5993291376
C   -2.6433454781  -0.4566522746  -0.6743483992
C   -1.4072512272  -0.0673355868   1.3552113358
C   -2.1902898075  -4.6846403449   0.4297630967
C    1.5669189938   2.0146393309  -1.5179612772
C   -0.8726791938  -5.0940009694   0.5738353020
C    5.5782991918   0.9028940433   0.9427785181
C   -1.7522372587   1.2645346896   1.2892804580
C   -2.9777581777   0.8792534508  -0.7093892549
C   -2.5349039787   1.7556332711   0.2620719550
H    1.5643750012  -1.9567866413   1.3145126628
H    3.7875073975  -1.2083942370   1.0830902632
H   -3.5156893372  -3.0158571453   0.2526965845
H    1.1740582615  -4.4629977485   0.6830393844
H   -2.9873727292  -1.1101535210  -1.4650715316
H   -0.8089745531  -0.4161833046   2.1856147285
H    1.2014151733   1.5014775469  -2.4042878047
H   -2.9895609133  -5.4125698182   0.3979923370
H   -0.6300045426  -6.1451023675   0.6522343989
H    6.2564650020   0.1645880098   0.5215008404
H    5.9323417922   1.8963165009   0.6898223236
H    5.5578993146   0.7963237592   2.0244284216
*