! 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   1.8135446881  -0.8806280051   2.8638226901
Cl  -7.9231751626   0.6217641024  -1.8446202320
Cl   5.9810238160  -2.6039433729  -0.0429501175
S   -1.5803618279   1.1523606562   0.5805449850
N    2.2201301613   2.0086198422   0.3245311407
N    0.5104498374  -0.3932032594   0.1820392111
N    2.2820905820   2.1886580220  -0.9969806959
N    4.3405882717   1.9516899598  -0.1304783966
C    0.9580209510   1.9302743001   1.0030534029
C   -2.3618231644  -0.4339392780   0.1556157103
C    0.1223978177   0.7524421870   0.5494564117
C   -3.7532493041  -0.1644111293  -0.3275232674
C   -4.8525902768  -0.3584119921   0.4999676636
C   -3.9611294471   0.2922073521  -1.6266354930
C    1.8281804563  -0.8308571060   0.1585094989
C   -6.1405594749  -0.1183433815   0.0413198085
C   -5.2384475972   0.5380108846  -2.1001427093
C    3.4480788109   1.8567484707   0.8213304992
C    2.5329430170  -1.1629709266   1.3163424223
C    2.4460899625  -1.0821740731  -1.0665629980
C   -6.3199005339   0.3270507491  -1.2573503931
C    3.8049241661  -1.7101437629   1.2669305501
C    3.7197424791  -1.6127719572  -1.1383153794
C    4.3900296905  -1.9260812450   0.0331594599
C    3.5691171981   2.1403068736  -1.2175792814
H    0.4125522682   2.8619990372   0.8481280454
H    1.1409483018   1.8513924964   2.0757462181
H   -2.3549672872  -1.0823519200   1.0306532944
H   -1.7575303241  -0.9018466877  -0.6205746248
H   -4.7126720814  -0.7098201957   1.5144980259
H   -3.1159161749   0.4537379118  -2.2841814240
H   -6.9879880714  -0.2814526895   0.6926847117
H   -5.3848757046   0.8841569691  -3.1138834694
H    3.6407914771   1.7081377080   1.8722601529
H    1.9119405955  -0.8534473480  -1.9783381482
H    4.3258865460  -1.9561093000   2.1815621373
H    4.1762948371  -1.7838302241  -2.1029655678
H    3.9733624854   2.2584054370  -2.2104324827
*