! 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  -5.1618522476   1.4970154550  -0.0987879004
F   -1.0837408876  -2.9235513549  -0.6116975546
F   -0.5616744024  -2.1619864946   1.3302218785
F   -2.5648495124  -2.8288713562   0.9383629018
O    2.1745995743   1.5128985026   1.4649971870
N    2.5881095930  -0.6491088682  -0.4019271508
N    0.3695406329  -0.4187988139  -0.8293769680
N    4.7125181121  -1.2363739261  -0.2752074134
C    1.3227315156  -0.1961519933  -0.0277333764
C    1.2278808050   0.4956041307   1.3167615800
C    1.9381926606   2.6424866449   0.6404885089
C   -0.9222857890   0.0410595161  -0.5915128897
C    3.1027195506   3.5981231224   0.7707112367
C   -1.9006624489  -0.7918593064  -0.0365963149
C   -1.2862122104   1.3225045566  -0.9973046301
C   -3.2044478670  -0.3399629057   0.1162165545
C    2.9297632059  -1.1609629029  -1.6393318998
C    4.4192759432   3.0193193317   0.2732796313
C    3.7151722715  -0.7227386439   0.3737251815
C   -1.5324102057  -2.1755284989   0.4017327602
C   -2.5832889152   1.7770823941  -0.8461297291
C   -3.5356235572   0.9402782615  -0.2892464640
C    4.2329941354  -1.5086787280  -1.5368571553
H    1.4065078970  -0.2394973545   2.1058036506
H    0.2073390675   0.8680821965   1.4535598039
H    1.0005688398   3.1296773140   0.9354564229
H    1.8300523984   2.3445889585  -0.4123142138
H    2.8504048209   4.4916567998   0.1953892982
H    3.1966650272   3.9208094719   1.8110526238
H   -0.5426358621   1.9697265035  -1.4429164464
H   -3.9638796011  -0.9751115456   0.5496277604
H    2.2304116000  -1.2213818435  -2.4535844182
H    4.3409073916   2.6976872344  -0.7670872593
H    5.2153156913   3.7623998693   0.3279651553
H    4.7375278986   2.1583499434   0.8612812432
H    3.7470684565  -0.4109358321   1.4031087328
H   -2.8423509201   2.7776275079  -1.1634339472
H    4.8597406538  -1.9405179270  -2.3001139039
*