! 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    1.8637074732   0.7827563981   1.8689309508
O    1.9920523226   2.1621969744   1.4618906696
O    2.1740491026   0.3602712501   3.2117739205
O   -0.0455146987  -1.1410767594  -1.2607063090
O    0.4033702175  -1.7384803622   2.1847567055
O   -5.4894129239  -0.4440406016  -0.8768235062
O   -2.5511184412   3.1239269459  -0.4601170103
N    2.7878594865  -0.1311718842   0.8657875862
N    1.5303827145  -2.7246608998  -0.8785479539
N    0.2659657978   0.4341968238   1.5515702641
N   -1.5649019448  -0.9861273002   1.3785640750
N   -3.5168794378  -0.7259979822   0.2448295363
N   -2.0296082815   1.0944335271   0.4553256879
C    2.9105037953   0.2054396600  -0.5099396719
C    2.1877369653  -0.4640833009  -1.4956309290
C    1.1309057221  -1.4811026745  -1.1798654598
C    3.8081677151   1.2055541174  -0.8641668544
C    2.3729931675  -0.1175586799  -2.8298426499
C    3.9825003459   1.5463768599  -2.1947474754
C    3.2676577525   0.8802163410  -3.1803106613
C    0.5648423993  -3.7432014988  -0.5182737600
C    2.9135692553  -3.1313916617  -0.7457321465
C   -0.2493404784  -0.8204472804   1.7264654144
C   -2.3955934848  -0.1604302671   0.6534083435
C   -4.3476323394   0.0539246133  -0.4318727257
C   -2.8714538480   1.8611884362  -0.2292764198
C   -4.0805416004   1.3893211032  -0.7089416651
C   -5.7927385593  -1.8145614921  -0.6300970973
C   -1.2946147124   3.6134347502   0.0021059837
H    2.8117682786  -1.1124720087   1.1250176153
H    4.3820013854   1.7028058518  -0.0944818698
H    1.8164038604  -0.6372884481  -3.5990872241
H    4.6857141291   2.3231593946  -2.4618830306
H    3.4073889613   1.1349698343  -4.2219952357
H   -0.3239918689   1.1345572837   1.0837635717
H    0.6692804578  -4.0185788625   0.5315283848
H    0.7297741265  -4.6353063969  -1.1230988781
H   -0.4477031534  -3.3935772892  -0.6883686206
H    3.5967938627  -2.3879236361  -1.1453643407
H    3.1718171329  -3.3230972564   0.2983952979
H    3.0784981711  -4.0554490552  -1.2997463270
H   -4.7662343791   2.0133752213  -1.2626750571
H   -5.8495603123  -2.0310612782   0.4360291357
H   -5.0644233829  -2.4784430309  -1.0948240398
H   -6.7667974256  -1.9835869607  -1.0804880734
H   -1.2040228292   3.5396440328   1.0857914216
H   -1.2645460681   4.6612777443  -0.2826526031
H   -0.4624360318   3.0965523116  -0.4772390053
H   -1.8962918476  -1.9357752380   1.4820444421
*