! 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    1.8674016537  -1.5600116834   1.2167488364
O    1.8580225300  -0.8079384305   2.4501625587
O    2.4392293635  -2.8857431237   1.2029199239
O    1.3188536955   2.7507495373  -0.6013725047
O    0.4723434031   1.2953232192   0.8703863508
O    0.7732246007  -2.6003941263  -1.2729260337
O   -2.9099004130   0.7292370741   2.5710205991
O   -4.9250225429   1.0000152654  -1.6003956773
N    3.6949486141  -1.0088334633  -0.7787201435
N    0.2894404435  -1.6268523349   0.7201121987
N    4.0931691576  -0.0666620638  -1.6223108069
N   -1.2551798068  -1.6453878864  -1.0181201075
N   -2.0890870567  -0.4916300292   0.8181996361
N   -3.0945222979  -0.3387505303  -1.3112203801
C    2.6471355603  -0.5966479698  -0.0425501531
C    2.3536361959   0.7022136356  -0.4394561769
C    3.2994354819   0.9661007660  -1.4354015312
C    4.3808554367  -2.2898390209  -0.8052085705
C    1.2861615137   1.5893122718   0.0283603547
C   -0.0144151973  -2.0033961939  -0.5676520568
C    0.3033841367   3.7166727423  -0.2714862035
C   -2.1840393094  -0.7815660840  -0.4659645957
C    0.5570641909   4.9505786388  -1.0971340793
C   -2.9719367638   0.3786826348   1.2985162802
C   -3.9832767838   0.5100365153  -0.8125017102
C   -3.9706111362   0.9276479761   0.5125003252
C   -1.8954752823   0.1650738892   3.4003779701
C   -4.9479225060   0.6170425939  -2.9740829630
H    3.4274585081   1.8645316017  -2.0167753743
H   -0.3980279658  -1.0337041650   1.2086274160
H    4.8372267068  -2.5108646953   0.1543743957
H    5.1586771750  -2.2096801953  -1.5557057348
H    3.6966399508  -3.0846379198  -1.0847415121
H    0.3478820824   3.9441231035   0.7948511529
H   -0.6805500800   3.2955488111  -0.4871777179
H    0.5067630702   4.7400384991  -2.1653278511
H   -0.2081069644   5.6914606981  -0.8671950061
H    1.5272282544   5.3934782279  -0.8722209912
H   -4.6919426644   1.6296390459   0.9040028712
H   -0.8992805093   0.4633644558   3.0745647489
H   -2.0734912838   0.5659474310   4.3941598788
H   -1.9631381288  -0.9219117587   3.4400183829
H   -5.1059518209  -0.4543859753  -3.0916165643
H   -5.7861131060   1.1516271761  -3.4117675044
H   -4.0316616942   0.9055828352  -3.4879755736
H   -1.4257436532  -1.8909090195  -1.9847564078
*