! 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    2.6152120891  -1.2261428671  -2.9393573210
F    2.6231109344  -2.2820234700  -1.0225763521
F   -2.0544451530   1.6593764182   3.3442612263
F   -1.9440784970   3.1439060029  -1.0750083944
F   -2.2441858799   3.6617289279   1.5525927975
O    1.9898862743  -0.4789164834   2.5337480495
N    0.6950459165  -1.9139082667   1.4016867947
N    1.7139838279   1.9555505458  -0.8171826624
N    1.8265161542   1.0011313668  -1.7327907983
C   -1.1543328258  -1.5400286182  -0.1869205471
C   -0.1557209108  -2.3517378557   0.3683782816
C    1.5581033769   0.0895483097   0.3062373217
C   -1.4376331392  -0.1689633443   0.2868199829
C    1.7394619101  -0.1356592888  -1.0739523338
C    1.4367451461  -0.7848750676   1.4833344154
C    1.5611213311   1.4652674394   0.4155301512
C   -1.9186825093  -2.0562112029  -1.2346814262
C   -0.0000129471  -3.6620734013  -0.0760888091
C   -1.5596760472   0.8636244736  -0.6399584158
C   -1.6130762647   0.0971058715   1.6431591779
C   -1.7469210562  -3.3530503214  -1.6874227689
C    1.9043541457  -1.4259797935  -1.8020445298
C   -0.7951550697  -4.1670099638  -1.0895395056
C    1.6836118556   3.3458367464  -1.2099045239
C   -1.8803271853   1.3853428172   2.0511275041
C   -1.8341007402   2.1403231468  -0.2017582344
C   -1.9869741818   2.4222130234   1.1422943999
H    0.7761873587  -2.5296404833   2.2005896941
H    1.4570190992   2.1011720779   1.2796895976
H   -2.6877244457  -1.4359811788  -1.6768772968
H    0.7665996862  -4.2815854513   0.3706483200
H   -1.4227480816   0.6872471412  -1.6986692116
H   -1.5583573976  -0.6874862784   2.3852889419
H    0.9680203337  -1.9150481566  -2.0742582784
H   -2.3643377473  -3.7298216305  -2.4912797619
H   -0.6581544093  -5.1870413047  -1.4217828752
H    1.9679764710   3.9627463172  -0.3635234665
H    2.3903381059   3.5086164322  -2.0175658617
H    0.6895058914   3.6329918196  -1.5446960305
*