! 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  -4.6480830694   1.7902854972   0.8851925009
F   -2.3125486739  -1.9835254626  -1.7151988877
F   -0.2588696081  -1.3694156328  -1.8217768220
F   -0.8827829976  -2.7790174720  -0.3251001640
O    0.8323674106   1.4417610251  -0.9237228977
N    2.8357978597  -1.2821751526   0.4833103396
N    0.6837824522  -0.7305519387   0.9412499174
N    4.0966105706  -2.8547184114   1.3816719166
C    1.7116155102  -0.4791269096   0.2557476015
C    1.9130009614   0.5750243291  -0.8120264849
C    0.9801555043   2.6583604804  -0.2021986629
C   -0.5446227089  -0.0941696406   0.8555830851
C    1.7988615997   3.6905389043  -0.9567664405
C   -1.5419420294  -0.5405709316  -0.0219435974
C   -0.8668079497   0.9032202415   1.7740797319
C   -2.8013051439   0.0444797477  -0.0131996689
C    4.0429858854  -1.2547467825  -0.1896434937
C    1.1745013729   4.1079746608  -2.2797416246
C    2.9370625398  -2.2755096269   1.4185794672
C   -1.2529664140  -1.6633056225  -0.9674270610
C   -2.1174275120   1.4900392241   1.7827200538
C   -3.0778647783   1.0615996960   0.8812315792
C    4.7948685929  -2.2273351199   0.3772119301
H    2.0677847042   0.0667067047  -1.7687802732
H    2.8464593117   1.1054351700  -0.5924066096
H    1.4228524439   2.4722393002   0.7835456721
H   -0.0306574804   3.0356685052  -0.0331469807
H    1.9008160009   4.5605070917  -0.3027221105
H    2.8158336502   3.3196485302  -1.1209364392
H   -0.1204029054   1.2283607537   2.4860018339
H   -3.5701436711  -0.2872891078  -0.6966960756
H    4.2613921529  -0.5770866045  -0.9961446579
H    0.1696579249   4.5103902986  -2.1325358642
H    1.7693329860   4.8817204381  -2.7653702194
H    1.0979904720   3.2715047182  -2.9753580382
H    2.1331125407  -2.5156457764   2.0933201508
H   -2.3381044726   2.2744320754   2.4937743370
H    5.8019931294  -2.5115641045   0.1194228928
*