! 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   2.8643725205  -1.2277581520  -0.4745928524
O    0.0422285941  -1.7893748114  -0.9370621214
O   -1.5663624918   2.2629098825   0.1927054492
N   -0.8492168853   0.0751293372   0.0655696389
N    0.6188552072   1.8523321986   0.4228524045
C   -2.2350980714  -0.5233099318   0.1882594116
C   -2.1448034233  -1.9586671414   0.7297015630
C   -3.0738705684   0.2408866951   1.2241179535
C   -2.9258427079  -0.4993716860  -1.1698306502
C    0.2126021881  -0.7181171951  -0.3900124119
C   -0.6734751906   1.4393708970   0.2197031596
C    1.7260913237   1.0819729011   0.2603897096
C    1.5375219509  -0.1875994186  -0.1464964888
C    3.0498885266   1.7130481463   0.4969345756
H   -1.5271037881  -2.0102930645   1.6282276122
H   -3.1491485325  -2.2705421131   1.0144858714
H   -1.7774994615  -2.6827884166   0.0124035954
H   -3.4478068388   1.1958827323   0.8744210321
H   -2.5290045799   0.3958551755   2.1568468451
H   -3.9413584778  -0.3739811677   1.4610887478
H   -2.3818880490  -1.0869971612  -1.9085538345
H   -3.9279690358  -0.9216081169  -1.0819560728
H   -3.0273008263   0.5188761089  -1.5462546054
H    0.7347437926   2.8437234116   0.5842203222
H    2.9478645609   2.7324311755   0.8620068988
H    3.6312379706   1.7372171323  -0.4246871120
H    3.6198844167   1.1436267455   1.2298216870
*