! 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   0.3243677755   0.8282630005   2.9405222509
Cl   4.4633349818   0.9040802989  -0.4416255530
N   -1.4215575211  -1.8858279571  -0.2130011531
N   -0.1963444762  -2.4184712878  -0.2273712165
N   -1.3241076511  -3.0062998969  -2.0762678071
C   -1.4934049290   0.5097451012   0.4686101728
C   -2.3327793964   1.0757064921  -0.6806276890
C   -1.8382686119  -0.9510537367   0.8068219189
C   -0.0075645782   0.6502233400   0.2459725154
C   -3.7980210615   1.2796220065  -0.3132923486
C    0.8939187208   0.7771794818   1.3005498099
C    0.5382112412   0.6054893444  -1.0346953764
C   -4.6027283873   1.8620670043  -1.4646257853
C    2.2641606156   0.8613383781   1.1085419929
C    1.9006901125   0.6829391649  -1.2652745780
C   -2.0729062803  -2.2390475109  -1.3213095169
C    2.7545493252   0.8092844475  -0.1837724902
C   -0.1900421736  -3.0769932720  -1.3565084373
H   -1.7616298372   1.0767236017   1.3644101357
H   -1.9101883633   2.0410708900  -0.9723570859
H   -2.2655240992   0.4419152175  -1.5705057569
H   -2.9120977447  -1.0650836287   0.9476920093
H   -1.3648531245  -1.2503837523   1.7393092012
H   -4.2543033164   0.3354570485  -0.0034098455
H   -3.8595304615   1.9462767054   0.5516572069
H   -0.1151367597   0.5009085247  -1.8902678007
H   -4.1931301959   2.8193693327  -1.7913697229
H   -5.6406860637   2.0293549644  -1.1756453807
H   -4.6052582297   1.1926257380  -2.3265611553
H    2.9318569860   0.9650220261   1.9520093374
H    2.2839616469   0.6422586863  -2.2748417261
H   -3.0901081412  -1.9421489798  -1.5229100849
H    0.6726839506  -3.6421228719  -1.6720995969
*