! 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 4
end
%cpcm
    smd    true
    smdsolvent "WATER"
end
*xyz 0 1
Cl  -5.0956036941  -0.4819198505   1.1883252702
S   -1.9947486287  -1.4463754319  -0.2849892771
O   -1.7309174409  -1.6310511645  -1.6975277323
O   -2.8200335232  -2.3950613806   0.4223201681
O   -1.1469618440  -0.6984450498   2.4512825182
O    3.1680044136  -1.9954647097  -1.9121817112
O    5.5719445733  -0.1411245230   1.5954943439
N   -2.0755054442   1.2897724862  -0.3752935118
N   -0.8666395652   1.4058954676  -0.9091836325
N   -4.0402968087   1.8353643667   0.5091981239
N   -0.4829842984  -1.3659508773   0.3854660221
N    1.0665200519  -0.7454785051   1.9949811416
N    2.1061160576  -1.4134888158   0.0270369845
N    3.3150945429  -0.4457569119   1.8071479710
C   -2.6806084110   0.1175769949  -0.0021850117
C   -0.4669149806   2.6220991680  -1.1505811248
C    0.8978658379   2.8132989179  -1.7332068631
C   -2.9284438764   2.3031750501  -0.0451164818
C    1.7613359391   1.5655651057  -1.8024265734
C   -1.2753890535   3.7629062439  -0.8762820629
C   -2.5058834749   3.6127471614  -0.3236898758
C   -3.8871665724   0.5147921229   0.5420678505
C    3.1449680781   1.8668178795  -2.3540886488
C   -0.2543352981  -0.9294296270   1.6628177096
C    2.2087308304  -0.8783634812   1.2317969575
C    3.2234784709  -1.4994021511  -0.6883469758
C    4.4243426712  -0.5555062318   1.0880205335
C    4.4479575724  -1.0841580040  -0.1972904150
C    1.9069238079  -2.3994585118  -2.4408177366
C    5.5886131987   0.4429871919   2.8957975563
H    0.7778304978   3.2473370261  -2.7313809951
H    1.4041880209   3.5833121935  -1.1430331942
H    1.2722935197   0.8095855114  -2.4202891787
H    1.8487714400   1.1361659996  -0.8029195948
H   -0.8887567101   4.7454115446  -1.1074142279
H   -3.1491901635   4.4485416018  -0.0902031089
H    3.0901687016   2.3172383412  -3.3465704964
H    3.6903545316   2.5554199741  -1.7069417185
H    3.7409580720   0.9581491240  -2.4416303171
H    1.2124964954  -0.3759403063   2.9251980456
H    5.3563394551  -1.1530378554  -0.7770597428
H    1.4457472162  -3.1809197131  -1.8374239733
H    2.1163312623  -2.7952136837  -3.4303620620
H    1.2235504893  -1.5551764696  -2.5407924162
H    4.9789309582   1.3447864220   2.9393076107
H    6.6258952528   0.7046948657   3.0845306478
H    5.2523930173  -0.2582085516   3.6585619844
H    0.3359105729  -1.4914480816  -0.2278176920
*