! 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  -2.7861205687  -2.6804983624   1.1272836754
Cl  -5.2396896789  -1.1587772234   0.9069877647
F    2.1640220578  -0.4898194398  -2.2864854172
F    1.5207380827  -1.9650421076  -0.8185229802
O    2.7463058237   2.3822622122   1.0426055789
N    1.1506375053   0.9304912519   0.3206318626
N    5.3833773758  -0.7551078650   0.6068277201
N    4.7354878288  -1.4632778947  -0.3078663501
C   -1.4920547420  -0.2655889827  -0.6197939644
C   -3.4113172462   0.9387343142  -0.7982879111
C   -1.6974827082  -0.1499158936  -2.1530435125
C   -3.0055296363   0.6747078577  -2.2744642664
C   -2.9313643130  -0.3476385031  -0.1776352911
C   -1.1843668660   1.1314265982  -0.1229377893
C   -2.3646573989   1.8659922041  -0.2298322029
C    0.0002297516   1.7261684876   0.2940672912
C   -2.4116983177   3.2064076668   0.0932300356
C   -3.5648652418  -1.2683923107   0.5185612477
C   -0.0468870278   3.0816540754   0.6469623237
C   -1.2338513967   3.7942435936   0.5440607088
C    2.4271932162   1.2840207117   0.6101030817
C    3.4528458450   0.2504266433   0.3937990823
C    3.5638633672  -0.8793895855  -0.4499079966
C    4.6689143241   0.2826053101   1.0478135405
C    2.6285870013  -1.4528446546  -1.4472368062
C    6.7199715508  -1.1309104030   1.0080693893
H   -0.8394121750  -1.0746820519  -0.3045172871
H   -4.4468900353   1.2293976611  -0.6457427420
H   -1.8162499945  -1.1414399918  -2.5897909384
H   -0.8421224853   0.3236117911  -2.6340044066
H   -2.8745116933   1.6071887115  -2.8220137121
H   -3.7840236150   0.1011425688  -2.7771574601
H   -3.3250764468   3.7800693161   0.0079502897
H    0.8316991066   3.5907160066   1.0044815026
H   -1.2314608977   4.8385573064   0.8274050994
H    0.9952262927  -0.0395357892   0.1027910670
H    5.0496166640   0.9626789145   1.7914849429
H    3.0860481262  -2.2512487139  -2.0304391912
H    7.3940490779  -1.0857974018   0.1563109532
H    6.7199903155  -2.1384401152   1.4160384342
H    7.0637030439  -0.4392213756   1.7701481352
*
