! 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
Cl  -0.5788869689   0.0682104189   1.9019901767
Cl   3.8116152377   3.4922415226   0.7132119512
Cl   0.1102961410   4.1431748835  -1.5137475024
S    0.7819265624  -2.8141969039  -0.4205181784
N   -2.7763296114  -3.4174228427   0.9999847622
N   -1.6043378861  -1.4005941475  -0.4727379277
N   -2.6016982093  -3.3121383614   2.3203104021
N   -4.6727479180  -2.6660522760   1.7423484585
C   -1.6759401441  -3.7064119785   0.1281358678
C    1.5407456343  -1.6008420518  -1.5341666699
C   -0.9309337344  -2.4470120804  -0.2758494263
C    2.0921791394  -0.3437614997  -0.9209171686
C    2.4396307612  -0.2388562021   0.4194877592
C    2.3197804860   0.7463697442  -1.7561934719
C   -1.1297028283  -0.1255385592  -0.7355329021
C    2.9704897817   0.9362190940   0.9283852762
C    2.8625869619   1.9231982830  -1.2679018795
C   -4.0021095404  -3.0115463552   0.6718653015
C   -0.6725082199   0.6952723840   0.2974377820
C   -1.2341641994   0.4280830482  -2.0098463020
C    3.1715229623   2.0110001377   0.0791120211
C   -0.3015201074   2.0098278889   0.0703545081
C   -0.8573064370   1.7349738187  -2.2581923233
C   -0.3918558330   2.5158773076  -1.2126569372
C   -3.7647006469  -2.8704375185   2.7158509412
H   -2.0479606553  -4.1875024268  -0.7770905536
H   -1.0218755257  -4.4228266113   0.6234105583
H    0.8510544115  -1.3811354628  -2.3474488010
H    2.3558729997  -2.1742258921  -1.9835441966
H    2.2754602545  -1.0682229613   1.0944433220
H    2.0646463950   0.6847071606  -2.8067150659
H    3.2166807929   1.0085332529   1.9788080419
H    3.0212146072   2.7643672011  -1.9279025151
H   -4.3634395121  -3.0013138219  -0.3436769155
H   -1.6111543622  -0.1822276092  -2.8196586555
H    0.0617561356   2.6205434231   0.8845827742
H   -0.9274708578   2.1345544305  -3.2601307630
H   -3.9721442593  -2.6898174299   3.7585633358
*