! 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   5.4041674067  -2.8754430549   0.7040120449
O   -2.0588622788   1.0921484305  -1.7620244989
N   -0.9888374925   2.4756962597   0.6336055464
N   -0.6047198419   3.1877741532  -0.4327275663
N    0.9035185091   3.3792264428   1.2109129462
C   -2.0287155066   0.5217323828  -0.4693576702
C   -3.1742152791  -0.5179312142  -0.3944076532
C   -0.7295167451  -0.3173509088  -0.1819982828
C   -2.6174046824  -1.6305651724   0.4873733916
C   -1.1929886323  -1.7686761104  -0.0255127726
C   -4.6268349648  -0.1078372670  -0.1013547448
C   -2.1627726841   1.6274594184   0.5880080757
C    0.3923413346  -0.1352073889  -1.2060641244
C   -5.1711081385   0.9115671068  -1.0979449508
C   -4.9462076990   0.3173434764   1.3319399954
C    1.6536805781  -0.8166813595  -0.7570598097
C   -0.0765869191   2.5918794108   1.5956459486
C    2.0012873634  -2.0822685234  -1.2197158086
C    2.4949504515  -0.2028951152   0.1689844496
C    3.1496569041  -2.7237394266  -0.7767896527
C    3.6465948959  -0.8252778542   0.6243099294
C    0.5329360834   3.7060244052  -0.0387386240
C    3.9636079018  -2.0869086247   0.1451060032
H   -3.2005393728  -0.9384790586  -1.4083507296
H   -0.3343008002  -0.0093298478   0.7925000419
H   -3.1997942199  -2.5495960643   0.4034011854
H   -2.6125047575  -1.3459707285   1.5440543946
H   -0.5425861748  -2.3420946420   0.6356485546
H   -1.1990098273  -2.2764053108  -0.9953912611
H   -5.1902533446  -1.0331232526  -0.2692541658
H   -2.2769458664   1.2009348560   1.5828238729
H   -3.0267916061   2.2601234591   0.3898082713
H    0.6055116014   0.9257572070  -1.3597650112
H    0.0807395722  -0.5371449720  -2.1725550105
H   -1.4789507184   1.8674823637  -1.7761951203
H   -6.2461985547   1.0402629437  -0.9594421034
H   -5.0103219058   0.5923694133  -2.1286282871
H   -4.7138620091   1.8951230819  -0.9827239929
H   -4.5132118765  -0.3539137482   2.0743836397
H   -6.0268440965   0.3050146983   1.4845339500
H   -4.6119534819   1.3287526058   1.5632487997
H   -0.1702812536   2.1051075618   2.5534783230
H    1.3698831355  -2.5818848129  -1.9440721456
H    2.2556325959   0.7865408123   0.5422773775
H    3.4028216075  -3.7063522160  -1.1509255080
H    4.2873514997  -0.3290684365   1.3403574195
H    1.1122445639   4.3512767998  -0.6798968355
*