! 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  -5.0280392545   1.2453282843  -2.4141092127
O    1.8976345378   1.4876135591  -0.6045363713
O    2.0853330603  -1.2951844609   2.4592124497
N    1.9265086902  -0.5826889705   0.3066616654
N    1.8593531420  -2.8618451527   0.8335619365
N    0.9405051317  -4.7447845896   0.1599529303
C    1.8465648706   0.8671070573   0.6602545745
C    2.1248229066  -0.7481411894  -1.1581912350
C    2.6416030488   0.6559572381  -1.4612895715
C    0.4900185275   1.1833897888   1.2836856362
C    3.0286199668   1.3360206359   1.5035586083
C    3.1733552119  -1.7760771226  -1.5554600053
C    0.8125739310  -0.9868532847  -1.8997052768
C    0.2294823162   2.6687737209   1.5033738300
C    1.9743289326  -1.5072630944   1.2676095147
C   -1.2172982104   2.9397234265   1.9309149985
C   -2.2094112896   2.5375329417   0.8757942694
C    2.8015733738  -3.8407469203   1.0292728999
C    0.7552663199  -3.4657372296   0.3222741807
C   -2.3459136179   3.2910859003  -0.2884128322
C   -2.9717196675   1.3799370644   1.0001296927
C    2.2209106879  -4.9867620780   0.5847423167
C   -3.2079835875   2.9039529436  -1.3022742033
C   -3.8408754883   0.9740607925  -0.0030636058
C   -3.9480339532   1.7414747274  -1.1500997399
H    3.7186608199   0.7286079286  -1.2665092744
H    2.4601541081   0.9534060347  -2.4931708800
H    0.4012749322   0.6595593374   2.2374123332
H   -0.2779142915   0.7703092824   0.6242138377
H    2.9564371058   1.0072571794   2.5363347627
H    3.0552642692   2.4257455379   1.5029516705
H    3.9781906384   0.9822088511   1.0996819936
H    4.0593337226  -1.7241619208  -0.9220920127
H    3.4897464707  -1.5625607455  -2.5779525852
H    2.7991510026  -2.7978580751  -1.5516391338
H    0.0507925136  -0.2555520983  -1.6297926462
H    0.9827637197  -0.9102508480  -2.9739864040
H    0.4110356507  -1.9806152590  -1.7135808508
H    0.8944162751   3.0596164222   2.2767481994
H    0.4406472268   3.2348175794   0.5928521854
H   -1.3223436243   4.0048131106   2.1490434362
H   -1.4300611488   2.4077959352   2.8614574715
H    3.7801342742  -3.6294516152   1.4267718150
H   -0.1655585986  -2.9334997336   0.1465439397
H   -1.7683807657   4.1995650556  -0.4124018080
H   -2.8869004071   0.7747140050   1.8945712525
H    2.6552861181  -5.9727605140   0.5491538791
H   -3.3003902169   3.5033056351  -2.1978754412
H   -4.4219926816   0.0692937659   0.1129038961
*