! 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  -4.6473512544   1.9614163823   0.2862475257
F   -0.4323361311  -1.9177073043  -1.6206186126
F   -1.1567256244  -2.9738534561   0.1072677491
F   -2.5182271517  -2.4005041211  -1.4491724378
O    2.4827299729   1.5675983972  -0.5169574232
N    2.7546598030  -1.1467322390   0.4626750718
N    0.5493600287  -0.7667646243   0.8779186782
N    4.1429818292  -2.5402801798   1.4634115868
C    1.5649174730  -0.4741894506   0.1824486297
C    1.6233937720   0.5369663627  -0.9303250142
C    2.4705340588   2.6866897657  -1.3923909285
C   -0.6644321842  -0.1102250818   0.6919708143
C    1.2812857617   3.6057566182  -1.1734755654
C   -1.6921259678  -0.6874545973  -0.0616769158
C   -0.8967812524   1.1097516470   1.3201892758
C   -2.9169898283  -0.0467286437  -0.1863714235
C    3.9652793177  -1.0385284762  -0.1961783593
C    1.2200253735   4.1852257745   0.2306507742
C    2.9346315586  -2.0714276736   1.4553944151
C   -1.4546200472  -1.9946703227  -0.7525326006
C   -2.1156277702   1.7519468306   1.1991510042
C   -3.1190047062   1.1678333237   0.4445646381
C    4.7958380647  -1.9015132361   0.4336354463
H    0.6118524821   0.8969540789  -1.1352536154
H    1.9788605780   0.0543381116  -1.8507399202
H    2.5071704123   2.3508300623  -2.4356783081
H    3.3972162090   3.2297564947  -1.1948878495
H    1.3648898729   4.4136568740  -1.9049481581
H    0.3461111177   3.0896383146  -1.4087928736
H   -0.1151207672   1.5538165219   1.9212438285
H   -3.7128985828  -0.4815585755  -0.7739326031
H    4.1318810633  -0.3824544074  -1.0313190102
H    0.3687945307   4.8571968144   0.3415880418
H    1.1199387973   3.4071126244   0.9874627044
H    2.1219426605   4.7551003657   0.4626814841
H    2.1433629050  -2.3508034118   2.1301233136
H   -2.2744780764   2.7010756721   1.6919385610
H    5.8302796435  -2.1001628223   0.2055058173
*
