! 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
Cl  -1.5092726958  -0.4489316302   2.2808030707
F    5.6836311704  -0.7571574996   0.4848815454
O    0.2552541205   2.2971111428  -0.6628499169
N   -0.5185132334  -1.1998905696  -1.4809911630
N    0.3967062385  -2.1713731421  -1.5179908715
N   -1.5694193930  -2.9713713651  -0.7890443251
C    0.4683984193   0.8954309038  -0.6520255990
C   -0.3388739064   1.5550327122   0.3849359633
C   -0.2034978260   0.1705057361  -1.8043463567
C    1.8583260221   0.4636006192  -0.3262408338
C   -1.8218328288   1.4816206539   0.4147304624
C    2.0978440165  -0.4845450248   0.6604927725
C    2.9299790409   0.9930933586  -1.0373271134
C   -2.4622014670   0.5965356608   1.2770383714
C   -2.6122721354   2.2817206914  -0.4037491418
C    3.3889847811  -0.9041719198   0.9421036402
C    4.2279214340   0.5867083554  -0.7687933134
C   -1.6789339857  -1.6910649097  -1.0414598394
C   -3.8419426974   0.4967448014   1.3316075458
C   -3.9955914303   2.1923420832  -0.3641621413
C    4.4304003427  -0.3581902557   0.2183375260
C   -4.6100801062   1.3018942329   0.5034347845
C   -0.2798031178  -3.2069739678  -1.0953734901
H    0.1353826443   1.6955823246   1.3551508141
H    0.4455852002   0.1813073658  -2.6795474003
H   -1.1309875231   0.6664209429  -2.0860236598
H    1.2754736232  -0.9045044236   1.2246506053
H    2.7622965503   1.7323782298  -1.8101841972
H   -2.1403068979   2.9802201689  -1.0813690997
H    3.5792492080  -1.6407399804   1.7111010767
H    5.0645921261   0.9999695482  -1.3159879860
H   -2.5741640347  -1.0953740944  -0.9551299874
H   -4.3123434460  -0.2055179868   2.0059485593
H   -4.5919313342   2.8202933433  -1.0116077656
H   -5.6882289639   1.2267467199   0.5394494511
H    0.1759482682  -4.1810487900  -1.0126827167
*