! 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
S   -2.1697552268  -1.1772506052   0.8539203349
O   -1.7993167652   1.7338784509   1.0560581210
O   -1.8127422960  -0.9204895299   2.2357236372
O   -2.7410493181  -2.4663057490   0.5125522693
O    0.9287407791   3.1787988306   1.4342547524
O   -1.6426784517  -1.1832751610  -2.0432167898
O    5.1221546961  -0.7957704707  -2.2905248415
O    3.2558065923  -1.1491699011   1.7789294295
N   -0.7328904057  -0.9817082344   0.0237249324
N    0.5972588037  -0.9843094193  -1.8906900454
N    1.9266811102  -1.0715505218   0.0094416670
N    2.8520254067  -0.8745535648  -2.1471054054
N    4.2628107738  -0.9691312920  -0.2572662601
C   -3.2321695844   0.0764281685   0.2284861966
C   -2.9396832220   1.4335309458   0.4341772975
C   -4.3919193811  -0.3194586016  -0.4255476949
C   -3.8507271174   2.3797420398  -0.0341380759
C   -1.5401821316   3.0983431624   1.3846872706
C   -5.2888357422   0.6302471079  -0.8777123804
C   -5.0088921386   1.9740418070  -0.6772645049
C   -0.2622928118   3.2072953368   2.1846145423
C   -0.6652571355  -1.0700740038  -1.3352992544
C    1.8308234795  -0.9739292642  -1.3033552770
C    1.2854919712   1.9107555254   0.9312572806
C    4.0351459229  -0.8819597257  -1.5649931474
C    3.1754466840  -1.0574561913   0.4751695476
C    5.0072613627  -0.6899298500  -3.7111689545
C    4.5456754764  -1.1804597499   2.3941430554
H   -4.5982574096  -1.3681581177  -0.5817100276
H   -3.6686437649   3.4365826384   0.0965143679
H    0.1389142925  -0.9408453774   0.5632719751
H   -2.3596562839   3.4887728230   1.9956652063
H   -1.4716310730   3.7064317498   0.4775839682
H   -6.1928657787   0.3228206573  -1.3832671090
H   -5.7007390933   2.7276562426  -1.0286227603
H   -0.2859687488   4.1812637646   2.6769436885
H   -0.2549215378   2.4461239881   2.9760608078
H    0.6001167461  -0.9651028639  -2.9024682017
H    0.6794633858   1.6163786271   0.0699599946
H    2.3257874429   1.9689373958   0.6084928278
H    1.2057083195   1.1353668826   1.7004524438
H    4.5071906347  -1.5586655725  -4.1358876694
H    6.0269067872  -0.6443697331  -4.0814483781
H    4.4772664678   0.2160667409  -4.0005592717
H    5.1259785481  -2.0366832017   2.0544797819
H    4.3566311285  -1.2725172779   3.4592706885
H    5.0998984233  -0.2630749726   2.2032604851
*