! 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  -5.9641425329   1.9469335747  -2.1662130246
O    3.0142440663   1.5162822723  -0.1543248722
O    1.4325973965  -1.3268206700   2.3990920225
N    2.3003261820  -0.5503740839   0.4514059180
N    1.6549388097  -2.7954374233   0.6833728193
N    2.1396026386  -4.8603843735   0.0984089397
C    2.5585216857   0.8171335867   0.9848326397
C    2.6279073995  -0.6255768979  -0.9967494442
C    2.5723432554   0.8650169157  -1.3222273540
C    1.3109037097   1.4948091526   1.5654787088
C    3.6900371291   0.8166567025   1.9997698860
C    4.0362592177  -1.1593111833  -1.2350740420
C    1.6082287153  -1.3565695249  -1.8573127019
C    0.0575693594   1.4746219817   0.7009647298
C    1.7921818685  -1.4890911878   1.2494680999
C   -1.1507571621   2.0411394569   1.4496331060
C   -2.3791680227   2.0373138515   0.5862603843
C    0.4570775288  -3.4118465365   0.4199684846
C    2.6305332603  -3.7169434488   0.4873941141
C   -2.7400333992   3.1585694051  -0.1557551633
C   -3.1553316377   0.8876111798   0.4585511725
C    0.7836380922  -4.6770386714   0.0435079510
C   -3.8395889143   3.1421503215  -1.0020048285
C   -4.2574257847   0.8493093294  -0.3823764912
C   -4.5887899738   1.9819949136  -1.1089901461
H    3.2387558969   1.1257943223  -2.1452624181
H    1.5566386520   1.1676784932  -1.6012922674
H    1.5956837949   2.5332861938   1.7591997594
H    1.0887910709   1.0608307042   2.5393526689
H    3.4127323749   0.2971673691   2.9141072599
H    3.9408889694   1.8434114484   2.2689123074
H    4.5831700654   0.3442434640   1.5904506285
H    4.2802600861  -1.0743566006  -2.2945165426
H    4.1310312914  -2.2100826661  -0.9701213628
H    4.7848625267  -0.5985617804  -0.6753129170
H    1.7473805831  -1.0334177764  -2.8905027603
H    1.7262075104  -2.4377465098  -1.8499375427
H    0.5841954741  -1.1081975917  -1.5764879921
H    0.2090905015   2.0600528630  -0.2086540475
H   -0.1810281527   0.4556424229   0.3802811941
H   -0.9307957854   3.0592205284   1.7801644194
H   -1.3271716667   1.4482213546   2.3508815788
H   -0.4880210561  -2.9018525154   0.5006881949
H    3.6685855216  -3.5090771505   0.6909903838
H   -2.1564478494   4.0675752528  -0.0748015164
H   -2.9018859022   0.0003122899   1.0264864589
H    0.1131092144  -5.4633893663  -0.2633028405
H   -4.1044457343   4.0252845593  -1.5672423108
H   -4.8476863497  -0.0530540079  -0.4658275293
*