! 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  -5.1266392085   1.5062152836   0.4374827222
F   -2.6208329882  -2.7780061074  -0.9462913080
F   -0.6392849253  -2.0950221169  -1.4133329950
F   -1.0565420130  -2.9591319338   0.5114166178
O    2.1140798363   1.5706226017  -1.5028330680
N    2.6155698395  -0.6737443195   0.2410795435
N    0.4177120141  -0.4776000848   0.7849856558
N    4.2498220090  -1.6032939404   1.3981573683
C    1.3332562222  -0.2054223561  -0.0452193883
C    1.1705318557   0.5525265094  -1.3465873468
C    1.9142644891   2.6752922893  -0.6366932860
C   -0.8800567850   0.0014721315   0.6397056319
C    3.0671804093   3.6407994689  -0.7969671408
C   -1.8927307067  -0.7973211871   0.0963639281
C   -1.2109732005   1.2643170753   1.1242829277
C   -3.1986963153  -0.3308275319   0.0335556204
C    3.7071618120  -0.7449854412  -0.6046846838
C    4.4099213408   3.0501911979  -0.3920183839
C    3.0154068244  -1.2117793834   1.4357265511
C   -1.5571081079  -2.1568033978  -0.4336316559
C   -2.5098415877   1.7340523816   1.0615877412
C   -3.4970585478   0.9304359628   0.5165177248
C    4.6900105834  -1.3225061413   0.1241038151
H    0.1469635481   0.9365860490  -1.4084964645
H    1.2985243663  -0.1478819286  -2.1760760697
H    1.8583098721   2.3475654522   0.4112385029
H    0.9617990205   3.1664879379  -0.8720079035
H    3.1036383029   3.9991437071  -1.8294396954
H    2.8446214804   4.5132151448  -0.1786189764
H   -0.4393888037   1.8843278875   1.5610177947
H   -3.9842954317  -0.9397306184  -0.3905613339
H    3.6958148148  -0.4011285401  -1.6225851639
H    4.6936309002   2.2081628102  -1.0230821973
H    5.2015903284   3.7962049474  -0.4664585014
H    4.3881938346   2.6943402773   0.6398452615
H    2.3576298859  -1.2749074847   2.2860473370
H   -2.7436847251   2.7207265645   1.4366037549
H    5.6937941570  -1.5522724756  -0.1939113446
*