! 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  -5.0721914866  -0.4963855454   1.1994812984
S   -1.9859116582  -1.4393365274  -0.3277171066
O   -1.7193009329  -1.6256436853  -1.7394888873
O   -2.7996277900  -2.3958137566   0.3845946951
O   -1.1616443157  -0.7239393992   2.4188683481
O    3.2117814076  -1.9093148360  -1.9186791837
O    5.5867387472  -0.2758057211   1.7179774431
N   -2.0845544077   1.2936923675  -0.4077553958
N   -0.8893838078   1.4128090662  -0.9716703731
N   -4.0262354748   1.8301138504   0.5306419293
N   -0.4755821988  -1.3408791002   0.3451321435
N    1.0553277943  -0.7354966853   1.9813265705
N    2.1207329371  -1.3528181826   0.0111816031
N    3.3157823066  -0.5021534941   1.8587087191
C   -2.6859138738   0.1160756245  -0.0442538199
C   -0.4827031086   2.6312930576  -1.1870198520
C    0.8745222396   2.8260695681  -1.7857798943
C   -2.9228122658   2.3036106732  -0.0362197597
C    1.6260662384   1.5516368323  -2.1290345717
C   -1.2718101933   3.7715751929  -0.8573736577
C   -2.4936446720   3.6169797666  -0.2873325972
C   -3.8772022817   0.5081298608   0.5368923338
C    3.0334030643   1.8358342960  -2.6285022674
C   -0.2597698644  -0.9278841061   1.6333974291
C    2.2105830715  -0.8727929250   1.2393917511
C    3.2535349602  -1.4540761696  -0.6784174873
C    4.4387595332  -0.6233751425   1.1636058696
C    4.4779381155  -1.0999618384  -0.1421014288
C    1.9502764527  -2.2571768580  -2.4863653858
C    5.5899457733   0.2434439770   3.0463669989
H    0.7658315368   3.4542416341  -2.6751887885
H    1.4573720837   3.4257565930  -1.0786444341
H    1.0713659890   0.9892676868  -2.8837110861
H    1.6752397797   0.9131763551  -1.2461055215
H   -0.8793045679   4.7569693868  -1.0656457963
H   -3.1232727047   4.4520447930  -0.0166960421
H    3.6333835366   2.3324954598  -1.8642722348
H    3.5457153260   0.9120564867  -2.8998387503
H    3.0255375374   2.4770275614  -3.5117587823
H    1.1885495016  -0.3987996329   2.9258734578
H    5.3991510925  -1.1840500547  -0.6993083026
H    1.2865891676  -1.3943838263  -2.5551697879
H    1.4627235237  -3.0561049449  -1.9279377481
H    2.1675076056  -2.6102976598  -3.4901792594
H    6.6318599530   0.4460099225   3.2772928465
H    5.1982487411  -0.4774321659   3.7627522627
H    5.0207887164   1.1695323614   3.1168935164
H    0.3445762776  -1.4342306810  -0.2706023572
*