! 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  -0.3188589338   0.5490742936  -2.3227388411
Cl  -1.5961981402   5.0611769946   0.1625986241
O    0.0295222618  -1.0298338104   1.9845439030
N   -0.8438261513  -3.0654228208   0.0306448687
N   -0.5683501455  -3.7061627442   1.1731598239
N   -0.2053339002  -5.0516680850  -0.5801363260
C   -0.0508163575  -0.7896195760   0.5953476834
C    1.3133835388  -1.1114165492  -0.0438429001
C   -1.1847519815  -1.6622504255   0.0116721626
C    2.4204762206  -0.1401743357   0.3451299606
C   -0.4453771290   0.6776163705   0.4310692034
C    3.7846547080  -0.5874872880  -0.1642127675
C   -0.5840881211   1.3350997615  -0.7945057461
C   -0.6852330386   1.4501317698   1.5677608666
C    4.9029311718   0.3493806777   0.2659719022
C   -0.9383453794   2.6733658683  -0.8860010180
C   -1.0358606341   2.7879889725   1.5080447018
C   -0.6096878264  -3.8754972405  -0.9992137793
C   -1.1607861347   3.3931694939   0.2724948560
C   -0.1930194311  -4.8886815074   0.7534442831
H    1.2350110553  -1.1659665652  -1.1299167239
H    1.6017790878  -2.1171014867   0.2803437685
H   -1.4042564264  -1.4114521697  -1.0220281138
H   -2.0965455634  -1.5056254359   0.5885228987
H    2.2040974224   0.8570522851  -0.0497651518
H    2.4561969644  -0.0392280384   1.4336404985
H    3.7606787015  -0.6542471116  -1.2560202967
H    3.9956487632  -1.5979605883   0.1981614038
H    0.0992682974  -1.9874000208   2.1159267401
H   -0.5934616435   0.9999602470   2.5433313998
H    4.9801631851   0.3981820481   1.3538392010
H    5.8700136935   0.0217568742  -0.1173326892
H    4.7329305152   1.3649537561  -0.0965275609
H   -1.0345639806   3.1431447336  -1.8546708316
H   -1.2061011510   3.3419598924   2.4204692623
H   -0.7553353427  -3.5756975262  -2.0250180009
H    0.0976921976  -5.6655045914   1.4427943957
*
