! 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   0.9952989252  -0.1951375949   2.0777801528
S    1.7759761534  -1.2611251503  -0.8883270110
O    2.3486418145  -1.4248424102  -2.2068560460
O    1.5269527086  -2.4286666197  -0.0680807203
O    1.0139293126   1.2923897300  -2.1576149615
O   -3.3655394803  -1.8464686244   1.0884783947
N    0.2865910328  -0.5304110755  -1.0168974255
N   -1.1282369620   1.2653190950  -1.4460135152
N   -3.2722755330   1.6416433525  -0.7755235094
N   -2.1929826874  -0.3557973182  -0.1674714584
N   -4.4013514154   0.0414209460   0.5299045441
C    2.7612525725  -0.0860936470  -0.0036317408
C    2.4244664208   0.3447000409   1.2787587161
C    3.9143523370   0.3881401711  -0.6158786221
C    3.2372642921   1.2499708641   1.9386209734
C    4.7319863541   1.2841727198   0.0514890357
C    0.1251254638   0.7056668568  -1.5809184161
C    4.3907400344   1.7138805177   1.3243757778
C   -2.2336871387   0.8250903915  -0.7692794837
C   -4.3357866163   1.2037516527  -0.1051557401
C   -3.3033123100  -0.6948257019   0.4649713076
C   -5.5156665980   2.1019620107  -0.0390249238
C   -2.2298208404  -2.7124261805   1.0658754032
H   -0.4999950287  -0.9206677714  -0.4816858051
H    4.1777609230   0.0628914108  -1.6120212968
H    2.9705987391   1.5910464878   2.9294114108
H    5.6289021019   1.6483075586  -0.4290212638
H    5.0204188559   2.4190054481   1.8490273726
H   -6.4190725066   1.5554517282   0.2168812440
H   -5.3468729563   2.8549299180   0.7344176314
H   -5.6594011289   2.6316112009  -0.9783482749
H   -1.3718574869  -2.2573055078   1.5605406715
H   -1.9664571972  -3.0002430220   0.0487039147
H   -2.5254453231  -3.5977743846   1.6203047781
H   -1.2232512022   2.1737220043  -1.8824925437
*