! 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  -4.4190827768   2.0968910297  -0.3908028997
F   -0.7698231576  -2.6947511225   0.3346012485
F    0.1115007144  -1.2832746268   1.6944217734
F   -1.9608068891  -1.8104626515   1.8853348968
O    1.1668662825   1.4978568235   0.3910963326
N    2.8672531164  -1.3611344597  -1.0387564799
N    0.6886265038  -0.7467821340  -1.1786921510
N    4.8737056538  -2.2811813989  -1.0968668725
C    1.8212936961  -0.5019489698  -0.6826465691
C    2.2145352779   0.5959901686   0.2734114472
C    1.1320694424   2.2031720482   1.6152671655
C   -0.4828670545  -0.0431570816  -0.9384558594
C   -0.1135269439   3.0620177249   1.6480075094
C   -1.3701482147  -0.4322151290   0.0706905411
C   -0.8641821745   0.9813856693  -1.8024528235
C   -2.5799603766   0.2304349514   0.2392915612
C    2.7753120228  -2.4516249306  -1.8801830740
C   -0.1912122983   3.8703536585   2.9340752140
C    4.1623102381  -1.3179693371  -0.5993907779
C   -1.0024096156  -1.5514237814   0.9911138759
C   -2.0644250100   1.6421321100  -1.6381355042
C   -2.9149923163   1.2668640818  -0.6096996499
C    4.0149333358  -2.9947769709  -1.9010932372
H    3.1248327700   1.0850778368  -0.0957116506
H    2.4775540628   0.1281672792   1.2324905460
H    2.0275276922   2.8295730014   1.7236131309
H    1.1284104683   1.4995826334   2.4584895166
H   -0.1140908722   3.7356074307   0.7874906211
H   -0.9951299198   2.4231897728   1.5499800687
H   -0.1990899960   1.2713109952  -2.6043739158
H   -3.2615622692  -0.0539884946   1.0283177021
H    1.8599612986  -2.7273416205  -2.3715936752
H   -0.2069620771   3.2245908555   3.8137955573
H    0.6619884478   4.5435995669   3.0340770300
H   -1.0938987524   4.4804257421   2.9598638045
H    4.5301175207  -0.5673468335   0.0803823759
H   -2.3314051026   2.4474535206  -2.3087307408
H    4.3442791684  -3.8618548608  -2.4500942230
*