! 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   -1.7245420490  -1.7934478397   0.0168266504
S   -3.4888131599   2.1026218802  -0.0606542802
O   -2.3896689727  -2.7418408893   0.8849106678
O   -1.5039367618  -2.1362245732  -1.3725515248
O   -1.1127215457   2.6178795892  -1.4438300712
O   -0.9229025649  -0.6976751203   2.6336742656
O   -0.1677997999   0.5875579372  -1.4069514268
O    3.3803721915  -1.1941841119  -1.9219177489
N   -0.2122278102  -1.4684042319   0.6204100684
N    1.2019882035  -0.2530382780   2.0123468345
N    3.2341165385   0.6772588977   1.5609133434
N    2.2632082776  -0.8101837679   0.0229859881
N    4.3290994097   0.1946873542  -0.4658587614
C   -2.6233536026  -0.2771180140   0.1456556942
C   -2.2783370787   0.9406405541  -0.3945337631
C   -3.8630035793  -0.2596918218   0.8224052033
C   -4.4405774909   0.9739441115   0.7781427915
C   -0.0428269004  -0.8093003046   1.8090926250
C   -1.0713085917   1.3359709044  -1.1338581961
C    2.2677210545  -0.1298686257   1.1591578288
C    4.2515178923   0.8011686128   0.7110183236
C    3.3072736858  -0.5948486215  -0.7583041511
C    5.3843585496   1.6673970166   1.1225040536
C    0.0190950704   3.1718030799  -2.1245001741
C    2.3047450726  -2.0390409181  -2.3388454781
H   -4.3101365014  -1.1081825154   1.3153193689
H    0.5644314732  -1.4302789129  -0.0528686715
H   -5.3860298451   1.2653281118   1.2090083347
H    5.9375802267   2.0325315507   0.2614446622
H    5.0404161615   2.5068956557   1.7221528384
H    6.0722674779   1.0850148278   1.7397462610
H    0.9131771453   3.1124494602  -1.5049419426
H    0.1957783486   2.6687913865  -3.0737866752
H   -0.2267332386   4.2132508327  -2.3059847746
H    2.1722448729  -2.8812827444  -1.6609525858
H    2.5898176736  -2.4117138325  -3.3177936969
H    1.3744040695  -1.4797959403  -2.4283565472
H    1.2894908163   0.2526092759   2.8848881880
*