! 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   1.3841940015   1.7130590923   2.0332385441
Cl   4.7475608541   0.0892298411  -1.7640481358
O   -1.5240209410  -1.1044896218   0.0444171451
O   -0.8484643201  -0.2561414479   2.0045403935
N   -1.3925704136   1.6082901054  -1.0775946307
N   -0.4352303515   2.4381532052  -1.5044692322
N   -1.4721926010   1.4745119641  -3.2454330397
C   -0.8043575985  -0.0498501697   0.6262653095
C   -1.7874876818  -2.1106628929   1.0264315508
C   -0.9094132624  -1.6606548193   2.1876083634
C   -3.2725632550  -2.1580841801   1.3433454587
C   -1.5255684526   1.2695214544   0.3159101803
C    0.6218589072  -0.0413535694   0.0782067786
C   -3.6488800639  -3.3405313401   2.2268935599
C    1.6415025327   0.7307129110   0.6306580226
C    0.9251434928  -0.7647192249  -1.0708650908
C   -5.1326310998  -3.3609366392   2.5600741147
C    2.9120557955   0.7713690565   0.0781710320
C    2.1824955238  -0.7379287268  -1.6500463149
C   -1.9878155316   1.0329561560  -2.1247877944
C    3.1686372459   0.0337822657  -1.0640460551
C   -0.5271513429   2.3261526498  -2.8026606631
H   -1.4575539122  -3.0754118482   0.6310990264
H   -1.3337222869  -1.8633513738   3.1701042521
H    0.0879683942  -2.1106692680   2.1415657235
H   -3.8273322831  -2.2242933074   0.4029574160
H   -3.5769275491  -1.2213844076   1.8227349492
H   -1.1170498974   2.0902167406   0.8998306500
H   -2.5813135979   1.1692518599   0.5677778686
H   -3.0743020330  -3.3154096888   3.1574095651
H   -3.3714950501  -4.2717112890   1.7245707542
H    0.1598243596  -1.3680567299  -1.5364111002
H   -5.3899876054  -4.2238685588   3.1749163289
H   -5.4266017409  -2.4653471463   3.1102774988
H   -5.7429031069  -3.4066322217   1.6562915907
H    3.6852559279   1.3765531460   0.5304451886
H    2.3811686143  -1.3119265768  -2.5440674457
H   -2.7950049127   0.3251355931  -2.0285584794
H    0.1129924920   2.8905757978  -3.4622029071
*
