! 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
Cl  -1.3359987460   1.1923766433  -3.0772001873
Cl  -5.0207173485   2.8334278926   0.4248428265
F    3.7995067082   0.9103394498   1.3329230468
F    3.2223000991  -1.0916188661   1.8997811291
F    5.0221566234  -0.0857138388  -0.9373211271
F    4.4481672223  -2.1053277403  -0.3327517442
O    2.4676975238  -0.2555861890  -0.0287388856
N   -0.6699256377  -2.1345531020   0.1753787380
N   -1.9976673734  -2.2692634776   0.2178763779
N   -1.0754052905  -3.0276729540   2.1171596417
C    0.2101131343   0.0370075116  -0.6772824530
C   -0.0088114267  -1.4639798689  -0.9195315851
C    1.2352872683   0.3353638631   0.4080394333
C   -1.0909595793   0.7481271866  -0.4050797725
C   -1.8596082493   1.3004882712  -1.4285995787
C   -1.6055826644   0.8465128268   0.8860453718
C    3.4937438480  -0.3068473518   0.8221762892
C   -3.0643350072   1.9430738657  -1.1900870879
C   -2.8065490739   1.4777801562   1.1590123330
C   -0.1388530723  -2.5843266126   1.3145760241
C   -3.5245445679   2.0278195467   0.1119035960
C    4.7329115755  -0.8669153603   0.1266912221
C   -2.1891184170  -2.8085879306   1.3932574027
H    0.6309153454   0.4203621186  -1.6093085513
H   -0.6202159317  -1.6084548757  -1.8074694005
H    0.9416018440  -1.9612924243  -1.1064929144
H    1.3532808219   1.4154105929   0.5090106163
H    0.9469077448  -0.0662276986   1.3818695924
H   -1.0645623269   0.4199921173   1.7206193380
H   -3.6302617753   2.3681992995  -2.0070053043
H   -3.1717869577   1.5340397896   2.1746005939
H    0.9223017127  -2.5949643906   1.5091082244
H    5.5943117599  -0.9108902969   0.7939346441
H   -3.1775166140  -3.0619918756   1.7426566534
*
