! 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    2.4076710548   0.0404722147  -2.6996705185
F    3.3760935476   1.9816938399  -2.4595580950
O    0.8701347671  -0.8543294029   1.8453882710
N    0.5404738579  -0.8780265603  -0.3988098397
N    4.7315863384   0.3444078628   0.8589236117
N    4.4791705208   0.8793240752  -0.3294458847
C   -3.2904443636   0.9685452286   0.8297881906
C   -1.9053482032   0.4011338634   1.2217380587
C   -4.0040685166  -0.3933301927   0.9962383890
C   -2.2234127236  -0.1737106078   2.6239548636
C   -3.6657604270  -0.7144714857   2.4699049294
C   -1.8171944710  -0.7759157262   0.2864462237
C   -3.1209284004  -1.2705027345   0.1520178635
C   -3.3993203486   1.6487341901  -0.5315180345
C   -0.7800899488  -1.3725976290  -0.4077917663
C   -3.4085510997  -2.3525407957  -0.6526957679
C   -2.4991178863   2.8785865652  -0.5939459334
C   -4.8442592197   2.0374455449  -0.8267921486
C   -1.0682124768  -2.4633593108  -1.2369148824
C   -2.3604544647  -2.9437417925  -1.3588690414
C    1.2788158061  -0.6429522085   0.7134420075
C    2.6332745993  -0.1197898606   0.4819676807
C    3.2155505401   0.6085695823  -0.5782569797
C    3.6630370603  -0.2538451356   1.3907663769
C    2.5765591068   1.0926015498  -1.8317110387
C    6.0485605029   0.4438567949   1.4516662456
H   -3.6371575891   1.6774256566   1.5928479968
H   -1.0680264590   1.0952195476   1.2062241237
H   -5.0665073843  -0.4371101793   0.7614618098
H   -2.1776856043   0.6217106767   3.3694874512
H   -1.5096860114  -0.9392868301   2.9199148847
H   -3.7464055747  -1.7801379505   2.6860443515
H   -4.3586470737  -0.1961632205   3.1346891715
H   -3.0718961930   0.9512004634  -1.3098731572
H   -4.4209028162  -2.7221881580  -0.7581106647
H   -2.7568145022   3.5958869236   0.1895844907
H   -1.4450054944   2.6240122870  -0.4734601406
H   -2.5999723035   3.3904317256  -1.5527211778
H   -4.9227432308   2.5548737324  -1.7847133988
H   -5.5029493892   1.1691483669  -0.8740810050
H   -5.2371062143   2.7087836898  -0.0588019624
H   -0.2674721551  -2.9291704564  -1.7988409738
H   -2.5538143308  -3.7826588305  -2.0145050007
H    1.0363382240  -0.9663065274  -1.2722751169
H    3.6974898357  -0.7385524624   2.3529037551
H    1.5998514161   1.5495855295  -1.6710459864
H    5.9956946869   0.9687219747   2.4022392155
H    6.4663149617  -0.5470919186   1.6110609156
H    6.6912640555   0.9964236598   0.7750469572
*