! 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  -5.1807867284  -0.2489195288   1.0608947565
S   -2.1165307569  -1.6552815953  -0.1138665715
O   -1.8941301196  -2.0336395346  -1.4950831702
O   -3.0049742426  -2.4360871954   0.7129166400
O   -1.1762034982  -0.6882444932   2.5227114504
O    2.9010238133  -2.0151223310  -2.0492919661
O    5.4176315059   0.1885298631   1.1651312638
N   -1.9153118246   1.0488974276  -0.4719604330
N   -0.6743065081   0.9859165554  -0.9383573254
N   -3.8520232178   1.8765893262   0.2375586741
N   -0.5906392651  -1.6163185574   0.5322861370
N    1.0073820828  -0.6905194658   1.9395133206
N    1.9425049452  -1.3849833367  -0.0717647229
N    3.2152942796  -0.2722741954   1.5732644950
C   -2.6596346297  -0.0130126086  -0.0272040491
C   -0.1279202648   2.1275369103  -1.2515551851
C    1.2949107098   2.1056568645  -1.7051166632
C   -2.6685928136   2.1725335719  -0.2864605491
C    2.2328984744   2.6228102905  -0.6110505122
C   -0.8187850787   3.3664217677  -1.1297347470
C   -2.0895992502   3.3979159293  -0.6514622830
C   -3.8425426950   0.5571104441   0.4020535413
C    3.6820673971   2.6567707593  -1.0664200370
C   -0.3170876761  -0.9805973644   1.7183120255
C    2.0980116822  -0.7919364755   1.0990070932
C    3.0122639656  -1.4521458242  -0.8583754555
C    4.2732671403  -0.3453221817   0.7762973713
C    4.2422464984  -0.9496812353  -0.4752220888
C    1.6249603249  -2.4931034831  -2.4717781267
C    5.4669931213   0.9058620357   2.3964338980
H    1.5718669937   1.0884941268  -1.9860473948
H    1.3967332611   2.7281830945  -2.5972884854
H    2.1297971220   1.9958728986   0.2774872087
H    1.9256785048   3.6267958142  -0.3068041972
H   -0.3179060066   4.2781221382  -1.4229267917
H   -2.6498248200   4.3146336237  -0.5399726453
H    3.8168493024   3.3535384454  -1.8951654741
H    4.3401659749   2.9754098205  -0.2570761858
H    4.0199963264   1.6762819664  -1.4035922467
H    1.1890835803  -0.2323519961   2.8228612609
H    5.1090060770  -0.9934072602  -1.1177833021
H    1.2481801382  -3.2764361970  -1.8142679761
H    1.7813937622  -2.9105428567  -3.4620252526
H    0.8970675739  -1.6843796213  -2.5424986136
H    5.2635303742   0.2592288089   3.2489830613
H    4.7692661468   1.7428886452   2.4036788425
H    6.4812262664   1.2872322562   2.4713429554
H    0.1992729037  -1.7072921306  -0.1266609521
*