! 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  -5.2160302057  -0.3020324104   0.8277983203
S   -2.0800036315  -1.5976981555  -0.2709189833
O   -1.7913886789  -1.8335241426  -1.6708154701
O   -3.0127160287  -2.4475598466   0.4276444574
O   -1.2819473822  -0.9526110419   2.5002625513
O    3.0453884412  -1.7477937623  -1.9683891495
O    5.3558667713   0.1410171405   1.5842221912
N   -1.8395694299   1.1318898431  -0.2841511802
N   -0.5684595230   1.1133903687  -0.6566105404
N   -3.8185700245   1.8910793955   0.3874377257
N   -0.5867874022  -1.6414453970   0.4491022417
N    0.9247659111  -0.8521787138   2.0268787542
N    1.9735966484  -1.3289158467   0.0072596265
N    3.1356016476  -0.3560437708   1.8155381278
C   -2.6205825274   0.0333336162  -0.0352285696
C    0.0069207850   2.2781453208  -0.7818138338
C    1.4424951191   2.2733829196  -1.2018413547
C   -2.5982380432   2.2349257182  -0.0091948794
C    1.6083972446   2.0426151930  -2.7043730577
C   -0.6837938529   3.4994594212  -0.5551371931
C   -1.9870982200   3.4868805182  -0.1669805659
C   -3.8279946538   0.5619380885   0.3797445205
C    3.0718744708   1.9815989937  -3.1085955054
C   -0.3797284172  -1.1396853312   1.7113609013
C    2.0567591579  -0.8491058049   1.2364277731
C    3.0819014234  -1.2960273303  -0.7268830307
C    4.2358269479  -0.3398496346   1.0749451744
C    4.2774872254  -0.8037194643  -0.2354271030
C    1.8019462653  -2.1986846743  -2.5033255695
C    5.3564613398   0.6432932200   2.9194682635
H    1.8993648244   3.2242342366  -0.9236365854
H    1.9745618234   1.4950842466  -0.6509795143
H    1.1048178458   2.8440486829  -3.2505826724
H    1.1064539763   1.1134325055  -2.9856484688
H   -0.1550435218   4.4328398861  -0.6842698771
H   -2.5463853301   4.3896469923   0.0307295994
H    3.1762233801   1.8440402967  -4.1848165196
H    3.5987295481   2.8983316585  -2.8392964341
H    3.5851667864   1.1511708116  -2.6199038750
H    1.0550975879  -0.4898876650   2.9625245582
H    5.1795928508  -0.7786463524  -0.8286351007
H    1.0671722989  -1.3938030196  -2.5407875938
H    1.4018096521  -3.0423046528  -1.9413509824
H    2.0184285231  -2.5219585555  -3.5172757601
H    5.0838351431  -0.1261312193   3.6404992762
H    4.6870053486   1.4958023577   3.0279409473
H    6.3767683542   0.9644718979   3.1087839826
H    0.2356024172  -1.6429226703  -0.1760938818
*