! 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    1.6496864487   1.0508471542   2.1164270232
F    1.3777028426   2.2007983287   0.2850604929
O    1.9568937903  -2.5996041213  -0.4087159213
N    0.5785674868  -0.8037597252  -0.2026607089
N    5.0551718269   0.1042768752  -0.3976926065
N    4.4816398538   1.1007806920   0.2617387968
C   -3.2879518365   1.2119766283  -0.1669021934
C   -1.8867327597   0.9095088732   0.4097817801
C   -3.9616209351   0.0603163751   0.6097842754
C   -2.1645192290   1.0269436963   1.9274263604
C   -3.5940214915   0.4455551080   2.0640995381
C   -1.7763482393  -0.5686401564   0.1209838941
C   -3.0643918188  -1.0902008013   0.2449559900
C   -3.4251743031   1.2037454236  -1.6863806526
C   -0.6907835538  -1.3973194967  -0.1316787351
C   -3.3100601034  -2.4410224778   0.1061760892
C   -2.5854128093   2.3137085849  -2.3103353016
C   -4.8857468586   1.3556995484  -2.0982784358
C   -0.9377732071  -2.7673412511  -0.3029334995
C   -2.2265946118  -3.2667825097  -0.1824715963
C    1.7934004526  -1.3956159247  -0.2651774709
C    2.9660099746  -0.5067086086  -0.1779147604
C    3.2171675098   0.7589493196   0.4014078235
C    4.1983732693  -0.8820472138  -0.6740894681
C    2.3322282236   1.6955351225   1.1326754035
C    6.4617625599   0.1453561350  -0.7382446787
H   -3.6448282666   2.1813183783   0.2031086608
H   -1.0786136769   1.5509893646   0.0642195160
H   -5.0258642178  -0.1026769668   0.4487425908
H   -2.1325552305   2.0735765868   2.2332683589
H   -1.4234361965   0.4919756437   2.5211538551
H   -3.6457973357  -0.4076680093   2.7403735901
H   -4.2905947295   1.1981438499   2.4365660637
H   -3.0627183991   0.2461073107  -2.0750390192
H   -4.3074851706  -2.8490681068   0.2086216380
H   -2.6978640883   2.3265705911  -3.3957232510
H   -2.8890443347   3.2948515832  -1.9372142127
H   -1.5217800022   2.1955210318  -2.0995957815
H   -5.3121631348   2.2819432361  -1.7052717594
H   -4.9839174131   1.3852872980  -3.1848528347
H   -5.5028418004   0.5302647271  -1.7411084866
H   -0.1365321579  -3.4483287756  -0.5342015103
H   -2.3825586208  -4.3287784313  -0.3213534438
H    0.5680642825   0.2026489511  -0.1945761234
H    4.5029216682  -1.7703166355  -1.2026732354
H    2.8808829397   2.5329544105   1.5623192919
H    6.9869612222  -0.6833622416  -0.2699601698
H    6.5891082452   0.0886983249  -1.8163500521
H    6.8774721897   1.0803573693  -0.3787409521
*