! 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  -0.2916296860   1.8241209989   0.3701923891
Cl   5.7980131055   1.4763081133   2.2363550353
Cl  -5.3874652544   2.4562136242  -1.1780108642
S    1.2226370575  -2.7252224788  -0.9340686115
N   -1.9128264800  -1.7723336631   0.9610353310
N   -0.3557441647  -0.6322568207  -1.2856859349
N   -1.1406337592  -1.1916533135   1.8831607049
N   -3.2852559076  -0.5920159312   2.1561130712
C   -1.3370648007  -2.5794154229  -0.0801822740
C    2.3786425658  -1.5482563535  -1.6802838829
C   -0.2577136577  -1.8040414636  -0.8179598362
C    3.2162026075  -0.8128880928  -0.6724165473
C    2.6743037119  -0.2849775295   0.4965514052
C    4.5713506878  -0.6228202608  -0.9218665850
C   -1.5560163038   0.0704239133  -1.2486035034
C    3.4609678730   0.4212366694   1.3916741179
C    5.3737833815   0.0820723729  -0.0360026312
C   -3.1833925155  -1.3969124001   1.1283878236
C   -1.6543382711   1.2583370358  -0.5227929600
C   -2.6643240678  -0.3328752949  -1.9916742818
C    4.8080586464   0.5999963600   1.1164548542
C   -2.8272256786   1.9922804777  -0.4901216364
C   -3.8425626221   0.3926615741  -1.9807630690
C   -3.9172577661   1.5456867537  -1.2175086067
C   -2.0056406622  -0.4932395408   2.5701094369
H   -2.1289961892  -2.8816452881  -0.7640025733
H   -0.9269697335  -3.4938272456   0.3499768233
H    1.7944540391  -0.8572482089  -2.2898877934
H    3.0081856917  -2.1249094614  -2.3571396033
H    1.6273342759  -0.4252929450   0.7303826260
H    5.0177038697  -1.0313921456  -1.8198857632
H    3.0256872789   0.8234097712   2.2962792489
H    6.4263809386   0.2157210167  -0.2441995353
H   -3.9869219881  -1.7452802464   0.4993928482
H   -2.5990876484  -1.2301030472  -2.5937101857
H   -2.8854987151   2.8982560254   0.0967666248
H   -4.6895606187   0.0560999755  -2.5619155236
H   -1.7039034620   0.1114388024   3.4104686111
*