! 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   -1.6629056084  -1.6607118706  -0.2948742407
S   -3.7016025724   2.0163608731   0.4692073329
O   -2.1909893710  -2.8123970664   0.4051421769
O   -1.5198960789  -1.7143411240  -1.7332203892
O   -1.6504245223   2.9150978813  -1.2174150592
O   -0.7556173370  -1.1770793478   2.4571360053
O   -0.4952390533   1.0151931449  -1.4939782608
O    3.4601269568  -0.5692260203  -2.1741510276
N   -0.1408148717  -1.3233978438   0.2772153840
N    1.3751511029  -0.6688544035   1.9180326801
N    3.5428871203   0.0071579132   1.7385518606
N    2.3585614707  -0.6416737062  -0.1852599447
N    4.5926807942   0.0638699567  -0.3671594124
C   -2.6485911101  -0.2781141038   0.1907468143
C   -2.4784446254   1.0282510536  -0.2040934746
C   -3.7659116541  -0.4697136280   1.0334139871
C   -4.4281858891   0.6994232584   1.2593840295
C    0.0948228929  -1.0705460324   1.6006561684
C   -1.4303301782   1.6256921425  -1.0421718005
C    2.4603606437  -0.4296744417   1.1188036472
C    4.5863150080   0.2433606345   0.9465040873
C    3.4550876975  -0.3826603201  -0.8767040757
C    5.8374731388   0.7141592179   1.5921589111
C   -0.6997837073   3.6484217398  -1.9970338341
C    2.2765553192  -1.0574203293  -2.8106474018
H   -4.0687192777  -1.4167065239   1.4508201705
H    0.5998722533  -1.1030902272  -0.4001604637
H   -5.3113819851   0.8418109803   1.8631791429
H    5.6226731644   1.3968345424   2.4115624397
H    6.3664428345  -0.1430088749   2.0149448137
H    6.4979197441   1.1964907358   0.8768628610
H    0.2903781823   3.6127209479  -1.5449179662
H   -0.6529162485   3.2690069893  -3.0167239604
H   -1.0556010679   4.6735776698  -2.0079940327
H    1.9918736601  -2.0358953925  -2.4251284234
H    2.5282872470  -1.1502864274  -3.8627245445
H    1.4500922801  -0.3567747455  -2.7019986442
H    1.5182425176  -0.4894298189   2.9039720085
*