! 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   4.5583264837   4.7279467581   1.0632745072
O   -1.5765003635  -1.5090674215   1.5867802008
N   -1.5341625969  -3.3638503189  -0.6957186972
N   -2.1184709950  -3.9866344595   0.3333153744
N   -2.8185993258  -4.8673342272  -1.6018392277
C   -1.2647000540  -1.0810878574   0.2709779544
C   -2.5164334294  -0.4322465121  -0.4018296961
C   -0.2582656873   0.1013990169   0.4619858663
C   -2.5338447100   0.9428253532   0.2788218877
C   -1.0794098095   1.3906999635   0.2739163274
C   -0.6313536788  -2.2478659145  -0.4979820434
C    1.0102946916   0.0859637734  -0.4006300290
C   -3.8382594979  -1.1599527740  -0.1718144670
C   -2.3173786688  -0.2537155130  -1.9101328781
C    1.9122827145   1.2382790792  -0.0550398234
C   -1.9642805725  -3.8971055550  -1.8365861933
C    2.0731049588   2.3179009534  -0.9170307363
C    2.5931302459   1.2612568402   1.1610670887
C    2.8843381816   3.3946205583  -0.5844520113
C    3.4064207168   2.3262077070   1.5130447648
C   -2.8788184772  -4.8734184182  -0.2602675985
C    3.5434429806   3.3890846546   0.6327207156
H    0.0718822881   0.0344088859   1.5015725591
H   -2.9008078581   0.8438707478   1.3038901799
H   -3.1984898763   1.6430504124  -0.2316092603
H   -0.8357592362   1.8643275808  -0.6806900336
H   -0.8614588603   2.1286560237   1.0458499149
H    0.2407559721  -2.6133840680   0.0464238642
H   -0.2916783459  -1.9443980874  -1.4855470373
H    0.7570528597   0.1336234119  -1.4627542858
H    1.5606269255  -0.8456233301  -0.2490826661
H   -4.6579219743  -0.5417718808  -0.5442982860
H   -3.9053635490  -2.1115766812  -0.7008815394
H   -4.0364125151  -1.3420299475   0.8844562708
H   -1.3638815413   0.2038300200  -2.1769885757
H   -2.3851363700  -1.2004979574  -2.4483192804
H   -3.1023108077   0.3896806728  -2.3122525345
H   -2.0680515744  -2.3420471105   1.5345029635
H   -1.6224107632  -3.5678934235  -2.8049098082
H    1.5616995127   2.3252125425  -1.8716368743
H    2.4935281504   0.4318705104   1.8512375627
H    2.9971720306   4.2234842416  -1.2699758328
H    3.9277215528   2.3240910682   2.4606236282
H   -3.4995119989  -5.5522436143   0.3027528476
*