! 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  -6.1337514100   0.7609333905   0.4110607705
O    2.8545431145   1.3949185518   0.8099468606
O    0.0204291227  -1.5990357663   0.4891966652
N    2.0528073298  -0.6274719158   0.2124517789
N    1.6788404899  -2.8564097128  -0.4174838735
N    1.7733792554  -4.5845345348  -1.7769370375
C    1.6530775906   0.6619086281   0.8526317276
C    3.4048896785  -0.5089768540  -0.3957991329
C    3.5359315731   1.0144133783  -0.3611871879
C    0.5585672982   1.3588209889   0.0319918595
C    1.2802563883   0.4892211449   2.3144517993
C    4.4843875223  -1.1384185620   0.4787538956
C    3.5086590264  -0.9973752182  -1.8331703703
C    0.2907526330   2.7962253016   0.4601484918
C    1.1824887394  -1.6329743608   0.1333690960
C   -0.8055370129   3.4564177167  -0.3826104299
C   -2.1477992779   2.8034051993  -0.2100944970
C    2.4570030826  -3.7973222268   0.2106597186
C    1.2819972665  -3.3906960799  -1.5995873095
C   -2.6440975291   1.9015588522  -1.1471521939
C   -2.9153054646   3.0581894697   0.9248889506
C    2.5035222390  -4.8507889103  -0.6490353298
C   -3.8658305262   1.2680898541  -0.9661084231
C   -4.1387649513   2.4376293624   1.1247734301
C   -4.6036058561   1.5432372241   0.1729142680
H    4.5739669942   1.3372600369  -0.2907603602
H    3.0954765691   1.4719955232  -1.2557953037
H   -0.3583464680   0.7765146533   0.1132949453
H    0.8338221467   1.3480292908  -1.0274959972
H    1.2696616030   1.4597234949   2.8100580391
H    2.0064998911  -0.1392951924   2.8299762687
H    0.2931288294   0.0502317065   2.4322955872
H    4.4155562237  -2.2238327715   0.4990943468
H    4.4388590846  -0.7722757102   1.5045059255
H    5.4665009623  -0.8882278733   0.0758081672
H    2.6425803013  -0.7048551751  -2.4276232291
H    4.3875316967  -0.5367547124  -2.2878347816
H    3.6454023485  -2.0742546413  -1.9108405124
H   -0.0029564507   2.8370340943   1.5126378923
H    1.1995281375   3.3934196171   0.3659655477
H   -0.5158831365   3.4357160835  -1.4361583043
H   -0.8742191020   4.5088629678  -0.0987529688
H    2.8595009390  -3.6538188461   1.1986269099
H    0.6501396980  -2.8535895061  -2.2895026486
H   -2.0714897048   1.6847766096  -2.0407455617
H   -2.5579037587   3.7586504176   1.6703727692
H    3.0173041949  -5.7881069706  -0.5089364622
H   -4.2324952256   0.5710203179  -1.7072288020
H   -4.7211514331   2.6527489475   2.0103532340
*