! 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   0.5699563220  -1.8593436845  -2.0152541812
Cl   5.3041531253  -1.1809702901   0.3833377251
O   -0.7971639578   1.5127390201   0.4843686766
N   -2.7587994151  -0.5620095110   0.5131519235
N   -4.7294490812   0.3822088564   0.8130131444
C   -0.5286256287   0.2608224977  -0.0913121125
C   -1.3435594736  -0.7989133532   0.6592649385
C    0.9409762567  -0.0722027170  -0.0021076143
C    1.5219613184  -1.0416557158  -0.8151792465
C    1.7599470160   0.5464720799   0.9362634834
C   -3.5205612780  -0.8993924300  -0.5734171344
C   -3.5245109460   0.2272254778   1.2980302241
C   -1.4879016550   2.4222568810  -0.3604742957
C    2.8580448980  -1.3925830330  -0.7131073085
C    3.0995645378   0.2181693395   1.0643705777
C    3.6359771374  -0.7528413905   0.2365606212
C   -4.7344095331  -0.3163640398  -0.3631211895
C   -1.7978458511   3.6450315950   0.4362833781
C   -3.0328457190   4.0343146872   0.7246535950
H   -0.8306118186   0.2527821858  -1.1461074544
H   -1.1161019931  -1.8003101070   0.2962318441
H   -1.0902161426  -0.7731755960   1.7193101076
H    1.3489836639   1.3066808250   1.5851957791
H   -3.1477267764  -1.5228694490  -1.3697197107
H   -3.1584495158   0.6430768883   2.2236224397
H   -0.8635656630   2.6822462271  -1.2246461992
H   -2.4134427147   1.9802030464  -0.7465632199
H    3.2794528717  -2.1476675339  -1.3618637874
H    3.7110429278   0.7157541970   1.8038221270
H   -5.6091730616  -0.3707294510  -0.9918262336
H   -0.9499135873   4.2296820320   0.7797325194
H   -3.2235782555   4.9368457612   1.2914147292
H   -3.9001646763   3.4711691694   0.4006885516
*