! 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  -3.6353083860   3.2111828687   0.3239364544
N   -0.3528854462  -2.1303240000  -0.7656838857
N   -0.4389032452  -3.2149347906   0.0117693984
N   -2.4794972489  -2.5662448579  -0.6592568155
N    1.5921543635  -1.6457973248   2.3987180610
C    1.1921626830  -0.4026257384   0.1333136974
C    2.5022341433   0.3555518717  -0.1907754987
C    0.8959047382  -1.4462760717  -0.9718967050
C    3.7556715491  -0.5108262149  -0.2693998627
C    0.0070332176   0.5484285478   0.2462572080
C    5.0337931744   0.3209888717  -0.3361295647
C    1.3944836993  -1.1074534854   1.4004375674
C   -0.2420151939   1.4477560866  -0.7886068906
C   -0.8941556508   0.4896897016   1.3022843218
C    5.1522418272   1.1790412498  -1.5876855540
C   -1.3557739265   2.2697067824  -0.7706791792
C   -2.0138628163   1.3079073923   1.3357636640
C   -1.5763426071  -1.7516991365  -1.1435428046
C   -2.2372789388   2.1919058337   0.2960315894
C   -1.7265943304  -3.4358488658   0.0403074368
H    2.6331052438   1.1268039523   0.5720999856
H    2.3549377923   0.8748479498  -1.1382010842
H    1.6847268662  -2.1925200358  -1.0289013689
H    0.8559783226  -0.9315836402  -1.9308910299
H    3.7119072360  -1.1647316597  -1.1447169174
H    3.8157665789  -1.1645746016   0.6045918196
H    5.8876538783  -0.3585421002  -0.2868096910
H    5.0967641573   0.9552722325   0.5528086506
H    0.4231387576   1.5159309197  -1.6392248806
H   -0.7475341400  -0.1999945703   2.1228898898
H    5.0689280966   0.5719812526  -2.4910900878
H    6.1167270373   1.6869249493  -1.6212658822
H    4.3820057245   1.9499359592  -1.6350445078
H   -1.5306045204   2.9586751368  -1.5851529853
H   -2.7012837146   1.2452438312   2.1676937053
H   -1.7577926824  -0.9008435618  -1.7805282684
H   -2.1423861459  -4.2685026520   0.5849307712
*