! 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  -4.4732417870  -1.2365695864   0.3417883705
O    3.3522978854   1.5864218308   0.4440719771
O    0.0619700280  -0.6201653304   1.6208969732
N    1.8088812764  -0.0381929432   0.2831342224
N    0.2968742156  -1.7179717184  -0.3440391091
N   -0.5821855480  -2.5895821435  -2.1652684867
C    2.2065892256   1.1296440996   1.1206761288
C    2.9451465850  -0.4670366576  -0.5824576241
C    4.0386575048   0.4412495049  -0.0024803723
C    1.1600828826   2.2351918084   1.1147937572
C    2.5640603123   0.7322734330   2.5532335376
C    3.3303136211  -1.9281576055  -0.3959742378
C    2.7602914115  -0.1412611824  -2.0619905006
C    0.7844338932   2.7873574078  -0.2567169806
C    0.7158542319  -0.7455274550   0.6068887707
C   -0.6386094950   3.3616414220  -0.2775568534
C   -1.6654634817   2.2748184903  -0.1259712028
C    0.0007593954  -3.0259848667  -0.0431224163
C   -0.0954060077  -1.5089666946  -1.6286611222
C   -1.9728401240   1.4513212655  -1.2070819878
C   -2.2715535128   2.0016089589   1.0966123870
C   -0.5170536025  -3.5469083882  -1.1850414758
C   -2.8367175280   0.3760418216  -1.0759580432
C   -3.1358606692   0.9272061812   1.2508163294
C   -3.4042574668   0.1174210475   0.1611673684
H    4.5738716519  -0.0543742833   0.8159250575
H    4.7715525014   0.7346605767  -0.7526586267
H    1.5338154368   3.0441444463   1.7482356635
H    0.2789961260   1.8499010376   1.6271784927
H    3.2410381284  -0.1213681160   2.5945045478
H    1.6816654855   0.4824115788   3.1350816740
H    3.0550924694   1.5755989560   3.0399560975
H    3.3597749048  -2.2067058751   0.6583212168
H    4.3289656692  -2.0853363398  -0.8068114503
H    2.6634034016  -2.6133038819  -0.9169565686
H    3.7191223529  -0.2511311460  -2.5699432544
H    2.0679037632  -0.8167434049  -2.5581331967
H    2.4186906864   0.8822153775  -2.2167496479
H    1.4885101212   3.5648507293  -0.5569897491
H    0.8467965676   2.0071989948  -1.0197518993
H   -0.7943681571   3.8876305863  -1.2218797349
H   -0.7517231711   4.1034449516   0.5169576802
H    0.2112616705  -3.4590739634   0.9199765843
H   -0.0377395508  -0.5429262457  -2.1011539886
H   -1.5270331313   1.6484995126  -2.1753453426
H   -2.0631329499   2.6300653524   1.9540152948
H   -0.8441659814  -4.5595373800  -1.3575988940
H   -3.0588199953  -0.2525244204  -1.9272589471
H   -3.5874541991   0.7255368561   2.2127074454
*