! 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    3.7620441963   2.8201829208   0.2998339539
F    1.7973216945   2.6703141251  -0.6512356599
O    1.9977487502   0.0925856103  -2.6393374871
N    0.3918126857  -1.2851313685  -1.8755172770
N    2.7792272267  -0.7596143194   1.6621895825
N    3.2141590766   0.4635691986   1.3709449455
C   -2.7650176527   0.9773815231   0.1478527792
C   -1.2551501110   0.7107268140  -0.0659699107
C   -2.8666309100   0.0001407076   1.3453084008
C   -0.7051582217   1.0926039759   1.3302209019
C   -1.8117895609   0.6082941163   2.2972545072
C   -1.2590957600  -0.7920776135  -0.1420753538
C   -2.2466685269  -1.2333261590   0.7456490827
C   -3.6884705842   0.7184725420  -1.0390846316
C   -0.5386819916  -1.7028488675  -0.8917156720
C   -2.5077294693  -2.5767169450   0.9150509838
C   -3.3188045944   1.6122119593  -2.2183095056
C   -5.1452648371   0.9365134145  -0.6447476221
C   -0.8103539709  -3.0652244117  -0.7368561879
C   -1.7777106473  -3.4944618900   0.1571703726
C    1.4617439453  -0.4830090114  -1.6958851670
C    2.0163595892  -0.3654620479  -0.3430372955
C    2.7647220117   0.7151591389   0.1612356009
C    2.0529933060  -1.2959702901   0.6761391900
C    2.9955160407   2.0314316865  -0.4945831470
C    3.1272038519  -1.3893752796   2.9182805700
H   -2.9216595343   2.0105576703   0.4835120543
H   -0.7680205416   1.2341418954  -0.8867869534
H   -3.8473884215  -0.1415527983   1.7966414731
H   -0.5680655396   2.1729167014   1.3893356865
H    0.2599212688   0.6342896008   1.5333408432
H   -1.4512624462  -0.1167657662   3.0273120101
H   -2.2456840258   1.4403107186   2.8538816761
H   -3.5788657089  -0.3228320653  -1.3602574183
H   -3.2759668770  -2.9189282651   1.5973305181
H   -3.3606351983   2.6689805882  -1.9423834412
H   -2.3132480070   1.4072609556  -2.5883422627
H   -4.0062115552   1.4641850599  -3.0532088661
H   -5.4578492774   0.2686322234   0.1593561288
H   -5.3137591571   1.9620927144  -0.3065122513
H   -5.8111154533   0.7575336835  -1.4908283571
H   -0.2624725631  -3.7868778309  -1.3293767271
H   -1.9756638355  -4.5537055168   0.2565618451
H    0.1248605796  -1.4384392821  -2.8394403123
H    1.6433775047  -2.2899026801   0.7542660661
H    3.4704036853   1.9583682654  -1.4713442066
H    2.2370900969  -1.7997344185   3.3877474417
H    3.8501900773  -2.1867289108   2.7609376670
H    3.5589484506  -0.6398027240   3.5728483627
*