! 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   -1.6859343939  -1.6955312331  -0.2618570915
S   -3.6481663697   2.0394149014   0.4267047122
O   -2.2334568249  -2.8190603190   0.4676347149
O   -1.5426929293  -1.7931021197  -1.6978116009
O   -1.5366715976   2.8706996972  -1.2236168654
O   -0.7881228858  -1.1245072689   2.4714002725
O   -0.4575111223   0.9275780693  -1.5045235571
O    3.4360019253  -0.6435383337  -2.1663998874
N   -0.1586731338  -1.3659620783   0.3042094826
N    1.3417500500  -0.6237108088   1.9222483882
N    3.4872936105   0.1132772194   1.7161510420
N    2.3328645834  -0.6664514926  -0.1771110244
N    4.5414109398   0.1078244989  -0.3880743301
C   -2.6500311685  -0.2839807442   0.1858263484
C   -2.4427123667   1.0129175171  -0.2215246492
C   -3.7815353833  -0.4383360684   1.0171648069
C   -4.4166456228   0.7493818895   1.2222966947
C    0.0666862039  -1.0498927276   1.6156872431
C   -1.3691775741   1.5725008527  -1.0526054857
C    2.4220313197  -0.3878011268   1.1151991979
C    4.5250990522   0.3466344477   0.9160547638
C    3.4213594704  -0.3999365520  -0.8786031665
C    5.7583632563   0.8879930242   1.5405439217
C   -0.5493092993   3.5687590487  -1.9890136978
C    2.2707840796  -1.1982958612  -2.7818918790
H   -4.1114887824  -1.3729190360   1.4419249312
H    0.5857809951  -1.1686736866  -0.3767640556
H   -5.3030869821   0.9206483228   1.8135740493
H    6.3920160570   1.3806739651   0.8080965668
H    5.5198447906   1.5805305624   2.3448127276
H    6.3280821511   0.0652142685   1.9785274925
H    0.4310891693   3.5018518492  -1.5187857976
H   -0.4957123143   3.1850955168  -3.0069943664
H   -0.8701684212   4.6053711609  -2.0095877141
H    1.4221637970  -0.5201738358  -2.7062440589
H    2.0164365599  -2.1666925647  -2.3523049869
H    2.5282986610  -1.3308152549  -3.8282704189
H    1.4767051758  -0.3941660498   2.8988740419
*