! 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  -1.9014144473   0.2795684961  -3.0394036681
Cl  -2.7196335958   4.9854027172  -0.6551165944
F    2.9041903362   1.0494018683  -0.1322213396
F    2.7394840711   0.7582201149   2.0127977660
F    3.6278693898  -1.5099865702  -0.4943470576
F    3.2230359394  -1.9695141455   1.6035241198
O    1.2877114060  -0.2046525732   0.7613524730
N   -0.7911335366  -2.7542299349   1.0529837872
N   -1.1063297917  -3.7276340071   0.1942663145
N    0.4681613659  -4.4274090759   1.6323323718
C   -0.7672658927  -0.7179600335  -0.3316865485
C   -1.3241978762  -1.4212279804   0.9123385349
C    0.7497588133  -0.7889624621  -0.4262591742
C   -1.2711435896   0.7018488937  -0.4211437153
C   -1.7955680841   1.2377049408  -1.5972024249
C   -1.2040948848   1.5578914814   0.6781942589
C    2.5810333861   0.1458826571   0.8251537076
C   -2.2454719965   2.5467686068  -1.6836806942
C   -1.6388149452   2.8704485298   0.6237517354
C    0.1554434800  -3.1806879022   1.8887262086
C   -2.1614781331   3.3531668779  -0.5632660643
C    3.6111614069  -0.9897246332   0.7555495115
C   -0.3327274710  -4.7059963128   0.5883376305
H   -1.1246459491  -1.2766140895  -1.1983110961
H   -1.0929047702  -0.8885218351   1.8319793598
H   -2.4090383024  -1.4816498032   0.8418345476
H    1.0645100503  -1.8305083325  -0.5198286696
H    1.0833621427  -0.2582604303  -1.3199012710
H   -0.8026348198   1.2016179555   1.6162118287
H   -2.6536656669   2.9263665189  -2.6099152485
H   -1.5674012531   3.5014073455   1.4983280273
H    0.5625729642  -2.5659915222   2.6750147162
H    4.6151850988  -0.6520516750   1.0175250747
H   -0.3485283801  -5.6676917832   0.0999808018
*