! 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   4.8542457289   3.4172263774   1.4090866459
O   -2.3640154591  -1.6381762480   1.0324350562
N   -1.1083760030  -2.8732467266  -1.0019159700
N    0.1903051502  -2.9122610005  -1.3137887061
N   -0.4189678289  -4.8075704074  -0.2830639905
C   -2.1078974981  -0.7801391954  -0.0659915516
C   -3.3050513524   0.1967408943  -0.2699658258
C   -0.8935365742   0.1416697478   0.2799252285
C   -3.0278942527   1.2383221987   0.8210592782
C   -1.5191147076   1.4707777467   0.7659535869
C   -1.9466857426  -1.7217615245  -1.2628049213
C    0.1550149876   0.3748208083  -0.8169690023
C   -4.6662914779  -0.4667676666  -0.0951733078
C   -3.2671085778   0.8626743287  -1.6489023963
C    1.3300613721   1.1467503478  -0.2846855871
C   -1.4506852865  -4.0037109777  -0.3873118577
C    1.5096014297   2.4982880558  -0.5615381027
C    2.2690834401   0.5137483363   0.5286760939
C    2.5877316494   3.2053555143  -0.0457226789
C    3.3520793559   1.2000615737   1.0534489889
C    0.5550195596  -4.0844322512  -0.8636075997
C    3.5006494339   2.5474371371   0.7606079980
H   -0.3680997012  -0.3460447550   1.1061310702
H   -3.3277893458   0.8518057033   1.8009214837
H   -3.6023077216   2.1541490572   0.6697689886
H   -1.2953307909   2.2723485359   0.0580465488
H   -1.1141864298   1.7894962129   1.7262050273
H   -1.5420320376  -1.2071865574  -2.1302624632
H   -2.9254525975  -2.1063961412  -1.5535454487
H   -0.2801445128   0.9127983630  -1.6622742654
H    0.5139706799  -0.5804878220  -1.1997437466
H   -4.8285844096  -1.2727272275  -0.8147699044
H   -4.8069167418  -0.8792572444   0.9034595958
H   -5.4590902970   0.2663393838  -0.2565115364
H   -2.3156942241   1.3414118968  -1.8802707452
H   -3.4784735031   0.1531700954  -2.4509921917
H   -4.0329157199   1.6385167130  -1.7021014724
H   -2.4666100217  -1.1080378723   1.8304343089
H   -2.4540510178  -4.2124469532  -0.0543311258
H    0.8026054419   3.0165685825  -1.1976976644
H    2.1607041762  -0.5405887317   0.7548844183
H    2.7098129206   4.2550475673  -0.2755926657
H    4.0709925745   0.6881109052   1.6784897963
H    1.5694794313  -4.4360080097  -0.9683429057
*