! 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    1.4733483230  -0.0544446042  -1.7512667189
S    3.5838967647  -1.5644152042   1.5853832084
O    1.6414291026  -1.1716733468  -2.6532287778
O    1.9026581875   1.2659359551  -2.1659859708
O   -5.1915935122  -1.1761614378   0.8393732131
O    2.7023574535   2.7961778470   1.3803043661
O   -0.4635563582  -1.9740235035  -0.6230593656
O   -2.2875203711   1.7822197826  -1.0578278013
O    0.7699222250   2.2000046704   0.4261729627
N   -0.1596254130   0.1264166024  -1.4375753568
N   -2.1705014356  -0.4841330109  -0.4880736657
N   -4.0080535696   0.5623076798  -0.0804146197
N   -3.0077494451  -1.4139152387   0.0861742379
C    2.2196941266  -0.4286989074  -0.2122150423
C    2.7831316237  -1.6460174014   0.0714113473
C    2.4524827570   0.5681769377   0.7937588842
C    3.1927971435   0.0762576505   1.8213903969
C   -0.8830167969  -0.8649397003  -0.8385008556
C    2.8407096398  -2.9281029280  -0.6857078030
C   -2.7651438184   0.7596500417  -0.6017858763
C   -4.0821224635  -0.7456934112   0.3060256567
C    1.8755491702   1.9304309868   0.8260426242
C   -5.0462096375   1.5636382045   0.0428733005
C   -5.2303437657  -2.5566012324   1.2222562995
C    2.2315442037   4.1386257414   1.5457902522
H   -0.5263031753   1.0792670620  -1.4596378221
H    3.4972903083   0.5872442649   2.7218707341
H    1.8519849369  -3.2428315832  -1.0091363125
H    3.4764396646  -2.8356472688  -1.5647729771
H    3.2552018589  -3.7202021651  -0.0640657343
H   -5.3191908152   1.7028962132   1.0856270138
H   -5.9229814529   1.2770804053  -0.5320425252
H   -4.6667311492   2.5032985505  -0.3457256943
H   -4.4793224355  -2.7701497129   1.9816707901
H   -5.0779380293  -3.2029530881   0.3588946326
H   -6.2211614846  -2.7223240323   1.6318811517
H    1.9378145365   4.5747787775   0.5921562835
H    3.0677263217   4.6956576913   1.9559738407
H    1.3931849356   4.1790523533   2.2405686208
*