! 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  -6.0872195151   0.5801231185   0.7021958189
O    2.8879801628   1.5533841328   0.3673227697
O    0.2279000041  -1.5641129866   0.9401100270
N    2.0959589196  -0.5491445895   0.1354542910
N    1.6036457197  -2.7765756184  -0.3938593121
N    1.8397706281  -4.2336725363  -2.0264921086
C    1.7386728979   0.7984338209   0.6739410673
C    3.5219907763  -0.5766284102  -0.2928461127
C    3.9927630924   0.6834811766   0.4328446277
C    0.5602480969   1.3913029901  -0.0922867149
C    1.5228420996   0.7812756185   2.1860242538
C    4.3135980580  -1.7785914402   0.2009456471
C    3.6868713871  -0.3923032227  -1.7983426080
C    0.2424992863   2.8378233559   0.2689651651
C    1.2553014730  -1.5745063035   0.2902706975
C   -0.9165210435   3.3982647901  -0.5618844034
C   -2.2223156836   2.7127394282  -0.2752255508
C    1.7916141984  -3.9981656761   0.2048061212
C    1.6297444807  -2.9812457322  -1.7361494741
C   -2.7264205792   1.7245025309  -1.1157887236
C   -2.9442425250   3.0267246725   0.8747723674
C    1.9587727260  -4.8745132853  -0.8205581061
C   -3.9117735400   1.0629993509  -0.8252644849
C   -4.1304559461   2.3794595260   1.1831391364
C   -4.6040382546   1.3977123448   0.3263407511
H    4.2758068260   0.4608671712   1.4695809610
H    4.8448309687   1.1516116051  -0.0586326130
H   -0.3182440724   0.7694007227   0.0863991647
H    0.7799572283   1.3280622577  -1.1625263781
H    0.5557524024   0.3683035212   2.4584066367
H    1.5688680900   1.8016857257   2.5664057300
H    2.2924507830   0.2038875716   2.6995326460
H    5.3755723704  -1.5321510510   0.1501014500
H    4.1699442213  -2.6679733078  -0.4096104336
H    4.0838349985  -2.0229536547   1.2385116870
H    3.3864756867  -1.2756612631  -2.3572502150
H    3.1155888927   0.4583757385  -2.1700498463
H    4.7386833906  -0.2160727906  -2.0262334083
H   -0.0102806624   2.9249150788   1.3290848334
H    1.1178416645   3.4688608731   0.1029546377
H   -0.6766523098   3.3125160794  -1.6245941327
H   -1.0116133701   4.4652281736  -0.3487631413
H    1.8202309061  -4.1184726605   1.2745055436
H    1.4295373939  -2.1931402715  -2.4437924575
H   -2.1885606090   1.4596974698  -2.0179617786
H   -2.5796657211   3.7953558982   1.5459159453
H    2.1575797011  -5.9320288460  -0.7553456178
H   -4.2855271055   0.2977484370  -1.4918150278
H   -4.6773415107   2.6411239799   2.0787425764
*