! 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   0.3335670992   0.7036043535  -2.1637572301
S    1.4944893165   1.5411119531   0.9246988092
O    2.2839373947   1.5606674955   2.1355598453
O    1.1364397750   2.7840164728   0.2761249482
O    0.9186029528  -1.1571399853   1.8903657686
O   -3.6965978255   2.3538470218  -0.5000627158
O   -5.4051832681  -1.9599489590  -0.4262301443
N    3.3770336089  -0.2978648068  -0.0438523228
N    2.5062929473  -0.8036316295  -2.0498166243
N    0.0239162514   0.8100184672   1.2027649400
N   -1.2524617509  -1.1327818991   1.2679650989
N   -2.4640989590   0.6450732756   0.3879621678
N   -3.3257054783  -1.5510320383   0.4320714585
C    2.2483751327   0.4803940505  -0.2174065931
C    3.4932374624  -1.0573466159  -1.1890066489
C    1.7627555171   0.1131055891  -1.4571360350
C    4.2676698882  -0.4005950983   0.9827103452
C    4.5589233961  -1.9571701329  -1.3134214049
C    5.3021448410  -1.2728304279   0.8687204083
C    5.4546888376  -2.0635293794  -0.2888246853
C   -0.0401890380  -0.5310254797   1.4873532988
C   -2.3958059240  -0.6450876708   0.6664252555
C   -3.5811764179   1.0733545830  -0.1931575542
C   -4.4338426042  -1.1086795256  -0.1468418305
C   -4.6315918892   0.2238042362  -0.4896275377
C   -2.6044745238   3.2307979210  -0.2336470528
C   -5.2281407290  -3.3418482310  -0.1228597200
H    4.1178565634   0.2261477551   1.8439134388
H    4.6387466236  -2.5464489771  -2.2151908189
H   -0.8210828177   1.2434996395   0.8004380112
H    6.0060998396  -1.3467938833   1.6837651819
H    6.2834253537  -2.7532161116  -0.3606971693
H   -1.2711352766  -2.1205156652   1.4860028788
H   -5.5387586184   0.5699580288  -0.9623684641
H   -2.9331066479   4.2152009235  -0.5538518372
H   -1.7185653048   2.9549496459  -0.8070142876
H   -2.3634077364   3.2673621504   0.8286678514
H   -4.3809133563  -3.7667681265  -0.6601814646
H   -6.1402676972  -3.8318810030  -0.4515250629
H   -5.0983412243  -3.5069777858   0.9459491366
*