! 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    0.1447210263   0.9517302788  -1.8732586570
F    5.5661903458  -0.1164767606  -0.1445484562
O   -0.1462507657  -1.1319872396   1.7845979013
N   -2.1044745944  -1.5540325485  -0.3917746398
N   -2.7101442494  -1.8276646688   0.7698156570
N   -4.1739330430  -0.9587656046  -0.6848042459
C   -0.0038065075  -0.6380419743   0.4713994204
C   -0.6688284321  -1.6234640561  -0.5148302162
C    1.4955434802  -0.5169574035   0.2476415667
C   -0.6600751813   0.7354438602   0.3278638707
C    2.2014197574  -1.3076583382  -0.6494214428
C    2.1993248796   0.4065954493   1.0185568869
C   -0.5590301477   1.4670971642  -0.8480877399
C   -1.3956826792   1.3100469919   1.3588424952
C    3.5776349620  -1.1794073373  -0.7892859632
C    3.5708442800   0.5492308968   0.8951281834
C   -1.1427494971   2.7040247305  -1.0237496110
C   -1.9968307588   2.5531348305   1.2128929351
C   -2.9850223016  -1.0229897415  -1.2371126472
C    4.2372310091  -0.2506224279  -0.0135205012
C   -1.8711486790   3.2514370089   0.0226565606
C   -3.9453854482  -1.4575145464   0.5415262675
H   -0.4264385564  -1.4033736105  -1.5508863589
H   -0.3404391322  -2.6416446725  -0.3054726307
H    1.7022890125  -2.0425110936  -1.2658449722
H    1.6766540778   1.0394410956   1.7246408838
H   -1.4952541162   0.7906382584   2.3013870298
H   -1.0663605697  -1.4186497267   1.9081817188
H    4.1203172185  -1.7956337926  -1.4935051827
H    4.1093554096   1.2720228503   1.4933982274
H   -1.0266540158   3.2287904125  -1.9629052720
H   -2.5587571852   2.9744553480   2.0352120881
H   -2.7266823370  -0.7187431219  -2.2390838691
H   -2.3346407377   4.2211075552  -0.0976085818
H   -4.7116843124  -1.5563942283   1.2937840149
*