! 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   4.1443723999  -1.7919500248   0.2467206187
O   -1.8090450757   0.4635879950  -1.5456993939
N   -0.6165077491   2.5181852945   0.2454179733
N    0.3331599278   2.8439350342   1.1263195214
N    0.7485611890   3.8026392376  -0.8575683438
C   -2.3968485006  -2.1181334417  -0.3462947403
C   -1.3854974385  -3.1642172717  -0.0018639614
C   -2.8328005427  -3.3893781651   0.3153554478
C   -2.4783421347  -0.8178232655   0.4211757003
C   -1.5206553171   0.2439343516  -0.1828082414
C   -3.9294927157  -0.3428789278   0.4896848081
C   -1.6641303256   1.5788330660   0.5773401348
C   -0.0868360727  -0.2440872683  -0.0978435468
C    0.6607284559  -0.5287495607  -1.2332608755
C    0.5089665680  -0.4304372302   1.1472476275
C    1.9618433013  -1.0034108575  -1.1351088387
C    1.8040463544  -0.9050965891   1.2644521713
C   -0.3503561715   3.0886648635  -0.9295022354
C    2.5225154458  -1.1916984534   0.1148302522
C    1.1206319385   3.6129843731   0.4208356583
H   -2.6469742625  -2.0340971676  -1.3987916383
H   -0.7122032699  -2.9655594702   0.8223396547
H   -0.9382867599  -3.7289524986  -0.8097429714
H   -3.3853409477  -4.1114741629  -0.2721310714
H   -3.1358637777  -3.3413336769   1.3550423218
H   -2.1468911330  -1.0036828628   1.4488269373
H   -4.0607672146   0.5335417168   1.1242663826
H   -4.5513337297  -1.1337704491   0.9094018803
H   -4.3445191016  -0.1103928924  -0.4943216152
H   -1.6297156062   1.4326919443   1.6549032229
H   -2.6266515393   2.0365588046   0.3471701782
H   -2.7366989541   0.7100238329  -1.6309124337
H    0.2412486645  -0.3963694221  -2.2194950011
H   -0.0359724550  -0.2186164998   2.0583366430
H    2.5249121915  -1.2241329739  -2.0317649090
H    2.2434117723  -1.0476728177   2.2422035688
H   -0.9797661496   2.9797304063  -1.7964604075
H    2.0014725077   4.0627938095   0.8514048601
*