! 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   5.2470596902   0.9068767601   0.8699131618
O   -1.7463931258   0.4122015745  -1.6298874938
N   -0.5426906509  -2.1100642701  -0.6279396241
N   -0.7249634572  -2.2351071906  -1.9462580953
N   -0.6981580562  -4.2512566688  -0.9736767986
C   -1.6552753453   0.0918955756  -0.2566818650
C   -3.0196747536  -0.4649208382   0.2661970638
C   -1.5295692821   1.4308745300   0.4985812710
C   -3.8968341967   0.8056655601   0.2804214556
C   -2.9539046552   2.0030438234   0.4609280430
C   -0.4394053170  -0.8073110065  -0.0019173281
C   -0.5082721375   2.4459890830  -0.0209771675
C   -2.8994140776  -1.0201328618   1.6890573736
C   -3.6679957770  -1.5343675829  -0.6101897020
C    0.9336916669   2.0822345342   0.1958281826
C   -0.5332054275  -3.3153538109  -0.0655940324
C    1.4430977853   1.9288172698   1.4844181571
C    1.7951623791   1.8751854841  -0.8773895457
C    2.7634659079   1.5688999135   1.7011223017
C    3.1218923491   1.5161821160  -0.6824211234
C   -0.8165686421  -3.5330625836  -2.1024114412
C    3.5938088990   1.3617060356   0.6100094606
H   -1.2749050852   1.2011471818   1.5373216853
H   -4.6458793858   0.7427813781   1.0716622207
H   -4.4468921574   0.8929530945  -0.6580202869
H   -3.0535120838   2.6994140870  -0.3743006696
H   -3.1638226178   2.5743129385   1.3655263565
H   -0.2878361557  -0.9743552320   1.0625180856
H    0.4628170422  -0.3300856691  -0.3814006554
H   -0.7081598467   3.3877730856   0.4996035946
H   -0.6846729088   2.6445675780  -1.0789157976
H   -2.3117783176  -1.9389734719   1.7332055225
H   -2.4586050721  -0.3124847912   2.3923073294
H   -3.8923339067  -1.2668337625   2.0693697023
H   -3.7461161810  -1.2293406657  -1.6539134622
H   -3.1553993353  -2.4961231889  -0.5708282779
H   -4.6865582341  -1.7143455147  -0.2589903696
H   -1.6551814021  -0.4027656510  -2.1437759506
H   -0.3901398478  -3.4690273076   0.9921492210
H    0.8014562760   2.0906049499   2.3424168394
H    1.4263587852   1.9859963563  -1.8896878492
H    3.1383127827   1.4541460304   2.7091682156
H    3.7735032320   1.3573030601  -1.5308590492
H   -0.9696614734  -3.9754547258  -3.0740273186
*