! 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  -1.2468540883   0.1220046525  -2.3514392769
Cl  -3.3903793152   3.2811039451   1.3781829643
F    4.0479899837   0.0898597157   1.1109819136
F    4.1670316607  -0.9144516340  -0.7941452684
F    5.2404135736   1.5607155959  -0.8251038452
F    3.3549434405   2.4365566548  -0.1598295320
O    2.2098702495  -0.0415928416  -0.1527327537
N   -1.7709810449  -2.7515728567   0.2115797463
N   -2.7527793920  -2.5804638547   1.1002791714
N   -3.6000695353  -2.8914443385  -0.9534744645
C    0.2288444515  -1.3366608679  -0.0158985861
C   -0.3785494468  -2.6152101098   0.5737016197
C    1.6502504706  -1.1909787241   0.4965117579
C   -0.6379576300  -0.1416643039   0.2942322375
C   -1.3618992546   0.5476612324  -0.6740766179
C   -0.7969100442   0.2753953237   1.6137562007
C    3.5373281864   0.1006441428  -0.1448924189
C   -2.2076551695   1.6012013227  -0.3559199800
C   -1.6278936251   1.3229413026   1.9657393765
C   -2.2907663874  -2.9221504776  -1.0041075953
C   -2.3324926130   1.9767313856   0.9684132283
C    3.8980785338   1.4086701082  -0.8473397522
C   -3.8233033537  -2.6772249766   0.3560309315
H    0.2950483285  -1.4739736746  -1.0960135370
H    0.1710361163  -3.4863513291   0.2176263488
H   -0.3297531820  -2.6187567088   1.6610922337
H    1.6767792703  -1.0568943031   1.5799821097
H    2.2147503282  -2.0934193731   0.2525025810
H   -0.2611461870  -0.2369108364   2.4031950241
H   -2.7577577267   2.1149416417  -1.1317130115
H   -1.7274060719   1.6168649701   3.0010845184
H   -1.6875085936  -3.0828688082  -1.8831576312
H    3.5456851519   1.4287892126  -1.8787937351
H   -4.8123054703  -2.5970801920   0.7788958669
*
