! 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   -3.2799918060   2.9046048505  -0.1966895107
F   -1.3536610469   2.0747872413   0.2553180343
F   -2.1263847079   1.9861898474  -1.7531758539
O    4.4997314664  -0.5424977637  -0.3234733348
O   -0.3387999055  -0.3198261924  -1.1771653165
N   -0.1712974211  -0.9174876975   1.0203071712
C    4.2060228763  -0.0961783836  -1.6536528700
C   -2.3355774530  -0.5858978462   0.0690579427
C    1.2102400334  -0.9945805092   1.2389017969
C    3.5117408097  -0.7890186472   0.5615683809
C   -3.1086563150   0.5579104921  -0.1512647871
C    2.1554980144  -0.7151220149   0.2518788124
C   -0.8452445652  -0.5826481852  -0.1004123843
C    3.8257737346   1.3738539568  -1.6652974427
C    5.4539333688  -0.3588864481  -2.4707334204
C    1.6179601858  -1.3528651565   2.5215935794
C    3.9230690914  -1.1469529488   1.8455163613
C   -2.9644586723  -1.7850238490   0.3778346900
C   -4.4916685892   0.4816855441  -0.0668541200
C    2.9711042430  -1.4267723739   2.8087127771
C   -2.4666873491   1.8782471258  -0.4633483063
C   -4.3480283982  -1.8578169992   0.4515116398
C   -5.1104733226  -0.7248564808   0.2267976540
H    3.3900405623  -0.6979650181  -2.0671562247
H    1.8266244137  -0.4430915742  -0.7357347910
H   -0.7365125915  -1.0904044873   1.8394227777
H    4.6442697922   1.9894950696  -1.2891476064
H    3.6105495653   1.6887595066  -2.6864695216
H    2.9401179648   1.5874129971  -1.0668887919
H    6.3031457703   0.2154132692  -2.0973166235
H    5.2828162556  -0.0667959571  -3.5063433162
H    5.7196924131  -1.4160227422  -2.4643101580
H    0.8845575189  -1.5674550287   3.2887861882
H    4.9784301490  -1.2044064423   2.0774128828
H   -2.3729985151  -2.6755045405   0.5458703328
H   -5.1044534283   1.3580863731  -0.2233050976
H    3.2874497830  -1.7055299543   3.8049158431
H   -4.8240251290  -2.8002435375   0.6844812447
H   -6.1889149476  -0.7700839055   0.2853004597
*