! 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    1.4390214610   0.0277076435   1.8658640624
S    3.5914143118  -1.6031241360  -1.3924382576
O    1.8516091207   1.3617593179   2.2509297603
O    1.5989231065  -1.0605848217   2.8034717302
O   -5.0496041993  -1.1601911238  -1.0896492227
O    2.5526949646   2.6945807540  -1.5724332113
O   -0.4619724812  -1.9495007467   0.7734485173
O   -2.2939354057   1.8230632588   0.9801094459
O    0.7501313375   2.2008733489  -0.3482581606
N   -0.1898506877   0.1832741947   1.5149520262
N   -2.1420617256  -0.4554209366   0.4651426235
N   -3.9372745315   0.5891476179  -0.1047388012
N   -2.9368528224  -1.3932993796  -0.1536096401
C    2.2101145595  -0.3958623683   0.3471359618
C    2.7989500289  -1.6143629046   0.1297424097
C    2.4132435674   0.5462128866  -0.7184728630
C    3.1565588532   0.0090318907  -1.7220712571
C   -0.8835718109  -0.8294040526   0.9145270419
C    2.8836220211  -2.8539951876   0.9521298677
C   -2.7376368427   0.7928229824   0.5077890107
C   -3.9860353361  -0.7251444769  -0.4726734764
C    1.8095638226   1.8904758905  -0.8348257130
C   -4.9575392610   1.5915330915  -0.3263059357
C   -5.0539376760  -2.5399109058  -1.4749709188
C    2.0267584528   3.9945280658  -1.8567652167
H   -0.5541631024   1.1364328380   1.4709821292
H    3.4421422998   0.4715733095  -2.6541355842
H    3.4954322142  -2.6966449215   1.8387516497
H    1.8988082578  -3.1868056322   1.2693215336
H    3.3384847047  -3.6603923272   0.3796821338
H   -5.8881639932   1.2992486150   0.1529511075
H   -5.1223045560   1.7406197246  -1.3903015628
H   -4.6215450998   2.5271516347   0.1092071909
H   -6.0023065803  -2.7042129974  -1.9756655792
H   -4.9836814171  -3.1878245546  -0.6022752748
H   -4.2358308315  -2.7539041941  -2.1615999281
H    1.8623322992   4.5641471202  -0.9430359293
H    1.0964366125   3.9295493475  -2.4198572727
H    2.7795771708   4.4921483880  -2.4600176355
*