! 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  -1.9500862485   0.8951947480   3.1748427644
Cl   3.7431577937   1.1453522736  -3.6459760058
Cl  -2.5241489294   5.0953807170  -0.1194348684
S    0.6033436351  -2.6095271938   1.3066792820
N   -2.0070088557  -2.7597381623   0.0316861952
N    0.0855849513  -0.0458998831   1.1345287748
N   -1.6677093932  -2.8643074126  -1.2553036701
N   -2.1923195565  -4.8768552226  -0.4067725632
C   -1.8563494389  -1.5232877080   0.7449864203
C    2.2473756605  -1.8430830627   1.3532521500
C   -0.4096160821  -1.2037047549   1.0484479904
C    2.6105200854  -1.1082473693   0.0953495152
C    2.4874367507  -1.7042952396  -1.1551349397
C    3.0927784558   0.1934753586   0.1683791627
C   -0.6057528127   1.1205509274   0.8407391418
C    2.8341430200  -1.0194031980  -2.3095324502
C    3.4492887875   0.8925498997  -0.9744305967
C   -2.3022269534  -3.9644391939   0.5240198252
C   -1.5346905501   1.7018755931   1.7034994770
C   -0.2847718188   1.8100700253  -0.3292796136
C    3.3119215341   0.2778039079  -2.2079341127
C   -2.1285179362   2.9221190142   1.4193063633
C   -0.8740750447   3.0213906241  -0.6374505238
C   -1.7921856030   3.5710803773   0.2447015767
C   -1.8027661332  -4.1456403473  -1.4684230650
H   -2.4068136138  -1.6037596916   1.6831671415
H   -2.3087731573  -0.7167610224   0.1683991010
H    2.9182838404  -2.6884933386   1.5192099047
H    2.3228780037  -1.1959141026   2.2253253842
H    2.1051016409  -2.7136218870  -1.2423755676
H    3.1846582169   0.6809881634   1.1301642233
H    2.7313420339  -1.4955690832  -3.2749547810
H    3.8177693005   1.9063566114  -0.8986143013
H   -2.5966905265  -4.1205525463   1.5503225400
H    0.4471024748   1.3795049167  -1.0004244533
H   -2.8443333824   3.3513969129   2.1064708622
H   -0.6130274936   3.5313565797  -1.5540524064
H   -1.6144656044  -4.5764115922  -2.4388711698
*