! 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   4.2419084242  -2.7872495646  -1.7467156167
N   -3.3100196476   0.2670943864  -0.1769298810
N   -3.6210556384  -0.6551874671  -1.0938055453
N   -4.1214513837   1.3996076170  -1.8452387664
N   -0.3964671751  -1.7352548792  -0.8588925848
C   -1.0962831356   0.0154459738   0.9541542563
C   -0.5298565745  -0.4182911126   2.3273755038
C   -2.6424052479  -0.0754195092   1.0508020508
C   -0.7072327171   1.4326133758   0.5628456738
C    0.9600457661  -0.1564520436   2.5504323182
C    1.8401943864  -0.8006722268   1.5187827553
C   -0.6711764077  -0.9484835391  -0.0649799793
C   -0.2702590778   1.7576434638  -0.7156457559
C   -0.8740741557   2.4548492878   1.4954818960
C    2.4405870109  -0.0456325863   0.5171281504
C    2.0256351922  -2.1809549635   1.5083729151
C    0.0010024246   3.0767055105  -1.0555214151
C   -0.6035535262   3.7712411841   1.1569401615
C   -3.6042124067   1.4828010224  -0.6452722952
C   -0.1642199185   4.0875349878  -0.1221199449
C    3.1822667056  -0.6456742559  -0.4899103371
C    2.7629202786  -2.7992015869   0.5131016699
C   -4.1053890977   0.0709432683  -2.0657901868
C    3.3272657365  -2.0218001017  -0.4867761508
H   -0.7478433973  -1.4798183775   2.4640506341
H   -1.0914542315   0.1047962532   3.1041064668
H   -2.9475671401  -1.0799348441   1.3375769731
H   -2.9800424183   0.6068957916   1.8292862479
H    1.2052779475  -0.5383647399   3.5437982334
H    1.1487948079   0.9177377423   2.5788718989
H   -0.1327898037   0.9881084405  -1.4645036860
H   -1.2228623481   2.2343816866   2.4969818862
H    2.3253979640   1.0309987940   0.5117491148
H    1.5787574030  -2.7915440395   2.2841579068
H    0.3403626538   3.3094103955  -2.0560972686
H   -0.7374600466   4.5505238880   1.8953424695
H   -3.4467625666   2.3865435255  -0.0777811748
H    0.0470313349   5.1150339207  -0.3868584421
H    3.6359767034  -0.0433245295  -1.2651836890
H    2.8933594629  -3.8728174390   0.5167167220
H   -4.4691203368  -0.3784017520  -2.9763191329
*