! 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   0.6417091495   0.5864115026  -2.5491123143
S    1.4688823359   1.5904491892   0.6049764119
O    2.1962086879   1.7696750422   1.8429996832
O    1.1120829534   2.7429257577  -0.1953890138
O    0.9176341114  -0.9830858767   1.8643970405
O   -5.6544797823  -1.8823113276   0.3833318607
O   -3.7551438010   2.1593035554  -0.8836369692
N    3.4073905416  -0.3240128026  -0.0395210156
N    2.7715488114  -0.9195155467  -2.1076215207
N    0.0081221916   0.8552338925   0.8994584636
N   -1.2872345312  -1.0147390445   1.3700151079
N   -3.4658239902  -1.4522555419   0.8852794609
N   -2.5087512259   0.6044965732   0.2363591602
C    2.3117153909   0.4479913986  -0.3785114064
C    3.6511112582  -1.1335851215  -1.1275595364
C    1.9704409791   0.0251442871  -1.6484862549
C    4.1637036736  -0.3899340829   1.0922742868
C    4.7191965161  -2.0386134270  -1.0874677440
C    5.1993114073  -1.2671646943   1.1386430432
C    5.4868771391  -2.1023915850   0.0395470584
C   -0.0546969134  -0.4151682421   1.4094829954
C   -2.4712514129  -0.5895049737   0.8020644297
C   -4.6137325718  -1.0683813947   0.3433997894
C   -3.6667886984   0.9755244689  -0.3016444382
C   -4.7864409297   0.1636126824  -0.2767961694
C   -5.5099447252  -3.1659386161   0.9886845735
C   -2.6000740811   2.9940160780  -0.9300624989
H    3.9126208396   0.2667889944   1.9061777436
H    4.9022967854  -2.6644576961  -1.9484709666
H   -0.8434462961   1.2337609955   0.4576778053
H    5.7969777429  -1.3109001884   2.0365138391
H    6.3155698691  -2.7936618208   0.0943566679
H   -1.3113039276  -1.9423204080   1.7729430625
H   -5.7270348268   0.4639049964  -0.7142978642
H   -6.4804445798  -3.6443499156   0.8928104293
H   -5.2518550622  -3.0878806694   2.0440573672
H   -4.7615535383  -3.7698612865   0.4768962568
H   -2.2533662609   3.2608008347   0.0683938729
H   -2.9104753124   3.8975347253  -1.4466108214
H   -1.7900322973   2.5291689172  -1.4932253417
*