! 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  -3.2848396690   3.3702992667   0.3502951772
N   -0.5763415092  -2.3338700026  -0.7904778333
N   -0.6248176870  -3.3902751554   0.0274513686
N   -2.6954106879  -2.6557640387  -0.4321367501
N    1.7308679234  -1.8583924097   2.1104398631
C    1.1636935199  -0.6685973294  -0.1477800374
C    2.4983976418  -0.0911240187  -0.6698875360
C    0.6707614115  -1.7246291568  -1.1670948216
C    3.1015897007   0.9916543051   0.2134634953
C    0.0819301990   0.3842000945   0.0396669075
C    4.4009348885   1.5597781458  -0.3503489204
C    1.4538987346  -1.3401191745   1.1204257352
C   -0.7460686722   0.4063051951   1.1547624438
C   -0.1552550877   1.3000134003  -0.9830327263
C    5.5476382267   0.5603157273  -0.3968608490
C   -1.7831685591   1.3223503994   1.2592265833
C   -1.1850610569   2.2206623309  -0.8939873491
C   -1.8145936500  -1.9025408978  -1.0413295690
C   -1.9942200567   2.2236947284   0.2318435181
C   -1.9101560870  -3.5445875382   0.2056021946
H    2.3281874315   0.3003435953  -1.6755335765
H    3.1933959930  -0.9256507797  -0.7869151779
H    1.4154739132  -2.5076124756  -1.2959751483
H    0.5371479562  -1.2338306888  -2.1298764016
H    3.2897953348   0.5965903197   1.2168622266
H    2.3838513442   1.8064705710   0.3338138379
H    4.6972617625   2.4125567248   0.2647749466
H    4.2175796208   1.9593308835  -1.3521474347
H   -0.6040037499  -0.2929386967   1.9686700289
H    0.4589857635   1.3100228359  -1.8742671960
H    5.7453286689   0.1412619171   0.5917594040
H    6.4670236877   1.0355670518  -0.7407149375
H    5.3466553527  -0.2723354290  -1.0724494843
H   -2.4151908043   1.3228398442   2.1363722493
H   -1.3502776451   2.9252330951  -1.6972258079
H   -2.0258395385  -1.0600849924  -1.6812523660
H   -2.3010887792  -4.3403041592   0.8198825341
*