! 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   -3.6833862783  -1.6529533206  -1.5996779419
F   -2.0981984713  -2.0090398660  -0.1853940009
F   -4.1347756512  -2.4106030649   0.3547802296
O    4.3139605882  -0.1014191043   1.2282309759
O   -1.3344538177   0.2046715566  -1.9726080140
N   -0.1097152321   0.6546562706  -0.0997859447
C    5.7226975040  -0.2907716271   1.0430574103
C   -2.4853542231   0.7966193359   0.0165165997
C    1.2071689602   0.4352953745  -0.5264518910
C    3.4966285444   0.0590433362   0.1681320571
C   -3.4934780510  -0.1519048438   0.2102853836
C    2.1569740183   0.2794611703   0.4768190244
C   -1.2578140985   0.5080076865  -0.7955808175
C    6.4103779601   1.0282066346   0.7411359326
C    6.2350463244  -0.9147612017   2.3241724301
C    1.5954604098   0.3849018478  -1.8657928369
C    3.8919677115  -0.0013092853  -1.1668891887
C   -2.6450231070   2.0764155271   0.5325485999
C   -4.6428588329   0.1968021866   0.9061040285
C    2.9323223755   0.1654612841  -2.1551179180
C   -3.3517868737  -1.5532795224  -0.3073253746
C   -3.7999269768   2.4223916662   1.2188411912
C   -4.7990888015   1.4826270220   1.4031026381
H    5.8898067702  -0.9955671142   0.2220135482
H    1.8577414656   0.3179610465   1.5182115001
H   -0.2137465438   0.8253887344   0.8901739661
H    6.0295626104   1.5038830134  -0.1628912172
H    6.2895334625   1.7280451147   1.5696996275
H    7.4779423790   0.8624257694   0.5950683199
H    5.7454715662  -1.8671760007   2.5288818814
H    6.0796605037  -0.2537443821   3.1785614414
H    7.3047744979  -1.1040769457   2.2395001575
H    0.8911720328   0.5212164771  -2.6688888991
H    4.9193144061  -0.1702728070  -1.4554841316
H   -1.8702475559   2.8170823550   0.3835626830
H   -5.4273297307  -0.5271262546   1.0763743901
H    3.2413981671   0.1270623821  -3.1913457535
H   -3.9139857172   3.4252823405   1.6065870433
H   -5.7010313490   1.7409674491   1.9402032096
*