! 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   -2.4871145157   0.1966776390  -2.5794745034
F   -1.8659338608  -1.4481852529  -1.3367934930
F   -3.9015895098  -1.3090041423  -2.0022567673
O    4.5374582571  -0.2020045210  -0.2371650221
O   -0.2294911946   0.9848911146  -0.7275243016
N   -0.1292759836  -0.2764076778   1.1746694096
C    4.3668432231   0.8671892089  -1.1760498896
C   -2.2190216152   0.6683570983   0.5254828276
C    1.2104896540  -0.6818318872   1.2340164923
C    3.5118181627  -0.6241532859   0.5312757500
C   -3.2150965965   0.2060797473  -0.3380337534
C    2.2038972405  -0.1604511952   0.4050628572
C   -0.7586337170   0.4712616538   0.2435812128
C    4.3461180553   2.2094519100  -0.4676246141
C    5.5186085628   0.7595822793  -2.1524976150
C    1.5233504271  -1.6478959711   2.1867234610
C    3.8277148561  -1.5948240663   1.4818484620
C   -2.5762950070   1.3949361709   1.6536207494
C   -4.5477853797   0.4787798652  -0.0614531495
C    2.8298930315  -2.0939074677   2.2986986459
C   -2.8670095861  -0.5868124946  -1.5631933129
C   -3.9089295024   1.6753905531   1.9187306845
C   -4.8935279717   1.2163513777   1.0611907970
H    3.4334428818   0.7218533201  -1.7294765522
H    1.9502647644   0.5914579060  -0.3218828354
H   -0.7208402847  -0.6770937008   1.8889042263
H    4.1855758099   3.0070045901  -1.1934463171
H    3.5506734075   2.2810825098   0.2747456285
H    5.2964970426   2.3979397072   0.0345826530
H    6.4796790501   0.8823570373  -1.6506391176
H    5.4337457030   1.5407516740  -2.9074911787
H    5.5160815530  -0.2009948097  -2.6680635210
H    0.7518671108  -2.0504112883   2.8310229066
H    4.8458978336  -1.9504368202   1.5707367355
H   -1.8090704961   1.7596162217   2.3238278828
H   -5.3323179343   0.1183560347  -0.7118384509
H    3.0724206479  -2.8471143093   3.0363037185
H   -4.1722064533   2.2507275674   2.7953539984
H   -5.9350902148   1.4233357587   1.2634348670
*