! 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  -5.0414393453  -0.1417594224   1.3319224958
S   -2.0765192266  -1.6174487711  -0.0183464502
O   -1.8969780865  -2.0281117963  -1.3957218352
O   -2.9415625742  -2.3714695396   0.8557734096
O   -1.0784700235  -0.7457955053   2.6273443764
O    2.9245982370  -1.9204250137  -2.0471061589
O    5.5342652321  -0.0106382229   1.2830979975
N   -1.9029329682   1.0650332920  -0.5099251031
N   -0.7061587554   0.9746324272  -1.0715861061
N   -3.7805488959   1.9337604318   0.3036413212
N   -0.5332331578  -1.5723292670   0.5809868918
N    1.1006035380  -0.7865214764   2.0302751471
N    2.0045411507  -1.3984786904  -0.0213567557
N    3.3190610125  -0.4189612976   1.6752912074
C   -2.6111274370   0.0288204918   0.0416262297
C   -0.1901647102   2.0951408128  -1.4978111775
C    1.1949780100   2.0245282426  -2.0570496839
C   -2.6423424502   2.1990516390  -0.3275309598
C    2.2670950240   2.2614448889  -0.9864284344
C   -0.8772270156   3.3374350124  -1.3995363504
C   -2.1022852663   3.3987325286  -0.8134972209
C   -3.7578159183   0.6242926986   0.5324189218
C    2.2562693057   3.6531845605  -0.3747481370
C   -0.2343658875  -1.0188543338   1.8008614654
C    2.1846909112  -0.8782802288   1.1805494748
C    3.0628307131  -1.4347768543  -0.8253129536
C    4.3677316924  -0.4695027245   0.8643651082
C    4.3064888025  -0.9775523786  -0.4283118161
C    1.6335784667  -2.3498268879  -2.4769288485
C    5.6254637767   0.5760941377   2.5799072707
H    1.3483948821   1.0426974935  -2.5070210408
H    1.3029471810   2.7647765838  -2.8524373738
H    3.2395812378   2.0720636699  -1.4446712465
H    2.1492523500   1.5181340335  -0.1949575111
H   -0.4113033004   4.2281325856  -1.7960138021
H   -2.6555423404   4.3208165499  -0.7113544594
H    1.3465458967   3.8483448768   0.1949818915
H    3.0942809174   3.7740493512   0.3122790964
H    2.3436451370   4.4271137649  -1.1393022831
H    1.3006080321  -0.3869086596   2.9378159395
H    5.1662161399  -1.0022219014  -1.0813453879
H    1.2589598899  -3.1739471122  -1.8697693625
H    1.7641242733  -2.6958320379  -3.4981376575
H    0.9143091961  -1.5298809048  -2.4736173251
H    6.6593311803   0.8922949529   2.6846558835
H    5.3883510932  -0.1400090944   3.3655965033
H    4.9746977040   1.4449198740   2.6741669340
H    0.2460870760  -1.6543495896  -0.0909689889
*