! 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  -4.4012701053   2.0624518793   0.8047074230
F   -0.8494485267  -2.7181448013  -0.1675955796
F   -2.2610677934  -1.9502723462  -1.5901594033
F   -0.1846458685  -1.4426622723  -1.7612133447
O    1.0383825757   1.2940675266  -1.1476876220
N    2.9485686709  -1.3414560968   0.5417468431
N    0.8253056442  -0.6652380870   0.9630481190
N    4.1516031357  -2.8771318658   1.5742014501
C    1.8519765006  -0.5184255529   0.2465773100
C    2.0854377604   0.4127828031  -0.9217983558
C    1.2018928664   2.5618530636  -0.5330512991
C   -0.3807379304   0.0080837746   0.8458008719
C    0.0423721297   3.4519259786  -0.9153309439
C   -1.4024708185  -0.4398950832  -0.0016894622
C   -0.6577445853   1.0560448825   1.7222987371
C   -2.6357890869   0.1972375596  -0.0130860442
C    4.1546745864  -1.4168344962  -0.1295471574
C   -0.0424005577   3.7411279521  -2.4061791447
C    3.0146393088  -2.2527774483   1.5583677908
C   -1.1767803356  -1.6314425382  -0.8785614654
C   -1.8834211327   1.6939463597   1.7120681067
C   -2.8642423181   1.2663164020   0.8331914192
C    4.8704149232  -2.3655075390   0.5192403792
H    2.2298646769  -0.2026097269  -1.8157727557
H    3.0331225507   0.9400739898  -0.7542561260
H    2.1477106655   3.0130086133  -0.8612379306
H    1.2580130468   2.4625543551   0.5575737496
H   -0.8902734167   3.0049535851  -0.5619408497
H    0.1617477845   4.3876290523  -0.3640131624
H    0.1022641620   1.3762803763   2.4219193390
H   -3.4237933961  -0.1342477884  -0.6742629513
H    4.3978210050  -0.8153974757  -0.9875199458
H    0.8840077056   4.1841913540  -2.7762196397
H   -0.2347489645   2.8389004385  -2.9866852444
H   -0.8489527776   4.4428694280  -2.6199284662
H    2.2017042799  -2.4021223628   2.2482681912
H   -2.0665264997   2.5158812378   2.3902684695
H    5.8657845715  -2.7081643827   0.2882540886
*