! 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   1.9732489871   3.1541785001   3.0820341762
Cl   0.5991792057   4.8240013245   0.7965700086
F    5.0170326302  -2.9751736346   0.1744934006
F   -2.7131172978  -3.5542031489  -1.4508604427
F   -2.1067310206  -2.2106611860  -3.0536653868
O   -0.6785393159  -0.8930866865   1.3163880845
N   -0.1976628402  -1.5198446591  -0.7984872578
N   -4.3536838901   0.2431138488  -0.2821951955
N   -4.4460688704  -0.6885564660  -1.2194357079
C    2.0651536477  -0.9117923003  -0.0889967607
C    1.1483053484  -1.8639153749  -0.5470952751
C   -2.4087119658  -0.7520893274  -0.2655030944
C    1.6884441259   0.5010241200   0.1208064793
C   -3.2791705837  -1.3005644560  -1.2328888169
C   -1.0336312499  -1.0659286234   0.1600594014
C   -3.1626278131   0.2382697325   0.3262326920
C    3.3744522175  -1.3094517803   0.1676002520
C    1.5539201579  -3.1729612383  -0.7688162640
C    1.9581941904   1.1081272885   1.3416020064
C    1.0842856928   1.2489432007  -0.8861717144
C    3.7472810904  -2.6173001756  -0.0638063325
C    2.8630482691  -3.5628878740  -0.5399936681
C   -3.1063030953  -2.4539103935  -2.1469057635
C   -5.4536590077   1.1441019845  -0.0133973088
C    1.6287117521   2.4359427964   1.5549715997
C    0.7512107785   2.5747774101  -0.6739426503
C    1.0190313114   3.1735184220   0.5473870065
H   -0.5357518102  -1.6316541670  -1.7417298462
H   -2.9186816029   0.9328033390   1.1136592448
H    4.1066966827  -0.5928375251   0.5171567212
H    0.8325871067  -3.9010263926  -1.1158023774
H    2.4163354631   0.5411908028   2.1411879441
H    0.8846827934   0.8079184722  -1.8528979243
H   -4.0166151694  -2.6819265043  -2.6997051883
H    3.1795269370  -4.5819705994  -0.7150603170
H   -5.1718736428   2.1669019222  -0.2516165374
H   -6.2977532748   0.8547489156  -0.6298628942
H   -5.7397217205   1.0849314214   1.0336159526
H    0.2878235548   3.1499989952  -1.4634743661
*