! 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  -4.7883551245  -0.0098901042   0.2775495688
O    0.9842641717  -0.8956508849   0.6866139687
O    3.7460188716   2.2861997431  -0.2916111324
O    3.4509655808   0.9167060592  -2.0258610323
C    3.1279861586  -1.3470231989  -0.2754320764
C    1.6331100350  -1.3264950759  -0.5108707458
C    3.7194896341  -0.0199064557   0.1765506906
C   -0.3596696388  -0.6882413854   0.5633823865
C   -0.8341295843   0.5888650123   0.2520438209
C   -1.2371512246  -1.7415201515   0.7766184375
C   -2.2101445113   0.7767437918   0.1716084604
C    0.1074892595   1.7313743445   0.0214079253
C   -2.6073841943  -1.5464671250   0.6922003709
C    3.6118660775   1.0803150113  -0.8385125679
C   -3.0787142712  -0.2819267566   0.3858736345
H    3.6037258121  -1.6816220654  -1.1987444818
H    3.3635414408  -2.1005039877   0.4787247526
H    1.2892095185  -2.3303469745  -0.7819965032
H    1.3728406447  -0.6628392119  -1.3413028901
H    4.7876712097  -0.1511948295   0.3782310811
H    3.2853898411   0.3080073245   1.1216174567
H   -0.8500031570  -2.7216021448   1.0252296571
H   -2.6001293460   1.7591686908  -0.0618491157
H    0.6647592146   1.6090601388  -0.9089957206
H   -0.4359201291   2.6717139264  -0.0537699136
H    0.8325507820   1.8289735062   0.8290782510
H   -3.2875723216  -2.3689803526   0.8645282868
H    3.7050368309   2.9682397340  -0.9791452974
*
